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Subject Areas on Research
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"Is there an emerging need for new antifungals?".
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"Synthesis of 5-ethynyl-2'-deoxyuridine-5'-boranomonophosphate as a Potential Thymidylate Synthase Inhibitor"
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A Trimeric HIV-1 Envelope gp120 Immunogen Induces Potent and Broad Anti-V1V2 Loop Antibodies against HIV-1 in Rabbits and Rhesus Macaques.
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A family of hierarchically self-assembling linear-dendritic hybrid polymers for highly efficient targeted gene delivery.
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A gradient-directed Monte Carlo approach for protein design.
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A kernel for the Tropical Disease Initiative.
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A loss-of-function RNA interference screen for molecular targets in cancer.
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A novel protein geranylgeranyltransferase-I inhibitor with high potency, selectivity, and cellular activity.
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Acute graft-vs-host disease: pathobiology and management.
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Advanced Editorial to announce a JCAMD Special Issue on Artificial Intelligence and Machine Learning.
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Advances in enzymology and related areas of molecular biology. Preface.
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Aiming to induce broadly reactive neutralizing antibody responses with HIV-1 vaccine candidates.
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Aiming to induce broadly reactive neutralizing antibody responses with HIV-1 vaccine candidates.
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Amphipathic small molecules mimic the binding mode and function of endogenous transcription factors.
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Amphiphilic four-helix bundle peptides designed for light-induced electron transfer across a soft interface.
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An enthalpic basis of additivity in biphenyl hydroxamic acid ligands for stromelysin-1.
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An unbiased evaluation of CK2 inhibitors by chemoproteomics: characterization of inhibitor effects on CK2 and identification of novel inhibitor targets.
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Androgen receptor-cofactor interactions as targets for new drug discovery.
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Anesthesia: a discipline that incorporates clinical pharmacology across the DDRU continuum.
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Anti-AIDS agents 81. Design, synthesis, and structure-activity relationship study of betulinic acid and moronic acid derivatives as potent HIV maturation inhibitors.
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Anti-AIDS agents 82: synthesis of seco-(3'R,4'R)-3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) derivatives as novel anti-HIV agents.
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Anti-AIDS agents 85. Design, synthesis, and evaluation of 1R,2R-dicamphanoyl-3,3-dimethyldihydropyrano-[2,3-c]xanthen-7(1H)-one (DCX) derivatives as novel anti-HIV agents.
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Anti-AIDS agents 87. New bio-isosteric dicamphanoyl-dihydropyranochromone (DCP) and dicamphanoyl-khellactone (DCK) analogues with potent anti-HIV activity.
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Anti-AIDS agents 90. novel C-28 modified bevirimat analogues as potent HIV maturation inhibitors.
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Anti-AIDS agents. 78. Design, synthesis, metabolic stability assessment, and antiviral evaluation of novel betulinic acid derivatives as potent anti-human immunodeficiency virus (HIV) agents.
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Antidote control of aptamer therapeutics: the road to a safer class of drug agents.
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Antithrombotic drug development for atrial fibrillation: proceedings, Washington, DC, July 25-27, 2005.
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Approaches to HIV vaccine design.
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Aptamers: an emerging class of therapeutics.
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Arrestin interaction with E3 ubiquitin ligases and deubiquitinases: functional and therapeutic implications.
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Artificial intelligence in chemistry and drug design.
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Assembling OX40 aptamers on a molecular scaffold to create a receptor-activating aptamer.
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Atomic Resolution Cryo-EM Structure of β-Galactosidase.
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Automated design of ligands to polypharmacological profiles.
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B-cell-lineage immunogen design in vaccine development with HIV-1 as a case study.
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Basic concepts in cellular cardiac electrophysiology: Part II: Block of ion channels by antiarrhythmic drugs.
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Beta-arrestin-biased ligands at seven-transmembrane receptors.
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Beyond hydroxyurea: new and old drugs in the pipeline for sickle cell disease.
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Bioinformatic design of A-kinase anchoring protein-in silico: a potent and selective peptide antagonist of type II protein kinase A anchoring.
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Biomarker science: on a theme of personalized medicine.
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CD19: a promising B cell target for rheumatoid arthritis.
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Cancer pharmacogenomics and pharmacoepidemiology: setting a research agenda to accelerate translation.
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Chondroitin sulfate glycosaminoglycans for CNS homeostasis-implications for material design.
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Commentary: tackling the challenges of developing targeted therapies for cancer.
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Commentary: targeting myelodysplastic syndromes.
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Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore.
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Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore.
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Computational design of receptor and sensor proteins with novel functions.
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Computational design of receptors for an organophosphate surrogate of the nerve agent soman.
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Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B.
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Computationally guided high-throughput design of self-assembling drug nanoparticles.
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Computer-aided Discovery of a New Nav1.7 Inhibitor for Treatment of Pain and Itch.
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Conformational considerations in the design of dual antagonists of platelet-activating factor (PAF) and histamine.
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Conformational kinetics reveals affinities of protein conformational states.
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Congress, the FDA, and the fair development of new medications for children.
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Coping with polypharmacology by computational medicinal chemistry.
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Coping with viral diversity in HIV vaccine design: a response to Nickle et al.
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Copper Influences the Antibacterial Outcomes of a β-Lactamase-Activated Prochelator against Drug-Resistant Bacteria.
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Counting on natural products for drug design.
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Cross-Reactive Immunity Among Flaviviruses.
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Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
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Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
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Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
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Current therapies and future possibilities for drug development against liver-stage malaria.
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Cyclization/hydrosilylation of functionalized 1,6-diynes catalyzed by cationic platinum complexes containing bidentate nitrogen ligands.
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D2 Dopamine Receptor G Protein-Biased Partial Agonists Based on Cariprazine.
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DREADDing proglucagon neurons: a fresh look at metabolic regulation by the brain.
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Deconstructing behavioral neuropharmacology with cellular specificity.
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Deorphaning pyrrolopyrazines as potent multi-target antimalarial agents.
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Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide.
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Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group.
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Design and synthesis of manganese porphyrins with tailored lipophilicity: investigation of redox properties and superoxide dismutase activity.
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Design and synthesis of naphthoquinone derivatives as antiproliferative agents and 20S proteasome inhibitors.
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Design and synthesis of novel imidazole-substituted dipeptide amides as potent and selective inhibitors of Candida albicans myristoylCoA:protein N-myristoyltransferase and identification of related tripeptide inhibitors with mechanism-based antifungal activity.
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Design of experimental synthetic peptide immunogens for prevention of HIV-1 and HTLV-I retroviral infections.
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Design of helical, oligomeric HIV-1 fusion inhibitor peptides with potent activity against enfuvirtide-resistant virus.
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Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding.
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Design of thermally responsive, recombinant polypeptide carriers for targeted drug delivery.
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Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
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Design, synthesis and biological evaluation of GPR55 agonists.
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Design, synthesis and evaluation of a potent substrate analog inhibitor identified by scanning Ala/Phe mutagenesis, mimicking substrate co-evolution, against multidrug-resistant HIV-1 protease.
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Design, synthesis and structure relationships of new N,N',N",N"'-tetrakis (omega-amino alkyl) tetraazamacrocycles.
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Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
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Design, synthesis, and analysis of antagonists of GPR55: Piperidine-substituted 1,3,4-oxadiazol-2-ones.
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Design, synthesis, and antiviral activity of phenylalanine derivatives as HIV-1 capsid inhibitors.
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Design, synthesis, and biologic evaluation of novel galloyl derivatives as HIV-1 RNase H inhibitors.
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Design, synthesis, and evaluation of "dual-site"-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase.
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Design, synthesis, and evaluation of diarylpyridines and diarylanilines as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.
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Design, synthesis, and evaluation of linear and cyclic peptide ligands for PDZ10 of the multi-PDZ domain protein MUPP1.
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Design, synthesis, and functional assessment of Cmpd-15 derivatives as negative allosteric modulators for the β2-adrenergic receptor.
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Design, synthesis, and preclinical evaluations of novel 4-substituted 1,5-diarylanilines as potent HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI) drug candidates.
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Design, synthesis, and structure activity relationship analysis of new betulinic acid derivatives as potent HIV inhibitors.
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Design, synthesis, and study of a mycobactin-artemisinin conjugate that has selective and potent activity against tuberculosis and malaria.
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Designing effective vaccines for colorectal cancer.
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Developing aptamers into therapeutics.
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Development and characterization of a fusion protein between thermally responsive elastin-like polypeptide and interleukin-1 receptor antagonist: sustained release of a local antiinflammatory therapeutic.
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Development of a Grp94 inhibitor.
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Development of nicotinic drug therapy for cognitive disorders.
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Development of peptide antagonists for the androgen receptor using combinatorial peptide phage display.
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Development of universal antidotes to control aptamer activity.
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Discovery and optimization of imidazo[1,2-a]pyridine inhibitors of insulin-like growth factor-1 receptor (IGF-1R).
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Discovery and synthesis of novel beesioside I derivatives with potent anti-HIV activity.
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Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
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Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor.
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Discovery of thiophene inhibitors of polo-like kinase.
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Dosing in neonates: special considerations in physiology and trial design.
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Doxorubicin-conjugated chimeric polypeptide nanoparticles that respond to mild hyperthermia.
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Drug design from the cryptic inhibitor envelope.
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Drug-target identification in Drosophila cells: combining high-throughout RNAi and small-molecule screens.
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Durhamycin A, a potent inhibitor of HIV Tat transactivation.
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Economics of new oncology drug development.
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Emerging drugs for attention-deficit/hyperactivity disorder.
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Epidermal growth factor receptor as a novel molecular target for aggressive papillary tumors in the middle ear and temporal bone.
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Estrogen receptor-cofactor interactions as targets for novel drug discovery.
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Evidence that electrostatic interactions dictate the ligand-induced arrest of RNA global flexibility.
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Extended release, 6-month formulations of leuprolide acetate for the treatment of advanced prostate cancer: achieving testosterone levels below 20 ng/dl.
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Fast search algorithms for computational protein design.
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First-Principles Molecular Structure Search with a Genetic Algorithm.
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Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA.
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Functional analysis of the lipoglycodepsipeptide antibiotic ramoplanin.
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Functional co-primary measures for clinical trials in schizophrenia: results from the MATRICS Psychometric and Standardization Study.
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Further Advances in Optimizing (2-Phenylcyclopropyl)methylamines as Novel Serotonin 2C Agonists: Effects on Hyperlocomotion, Prepulse Inhibition, and Cognition Models.
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Fusions of elastin-like polypeptides to pharmaceutical proteins.
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G-protein-coupled receptors as signaling targets for antiplatelet therapy.
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G-protein-coupled receptors signaling pathways in new antiplatelet drug development.
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Genetic polymorphism and function of glutathione S-transferases in tumor drug resistance.
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Genetic regulation of platelet receptor expression and function: application in clinical practice and drug development.
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Genetically stable picornavirus expression vectors with recombinant internal ribosomal entry sites.
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Group VI phospholipases A2: homeostatic phospholipases with significant potential as targets for novel therapeutics.
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HIV vaccines: where we are and where we are going.
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HIV-1 gp120 as a therapeutic target: navigating a moving labyrinth.
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High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size.
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Identification of DK419, a potent inhibitor of Wnt/β-catenin signaling and colorectal cancer growth.
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Identification of genetic defect of an epilepsy: strategies for therapeutic advances.
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Immunotoxins that target an oncogenic mutant epidermal growth factor receptor expressed in human tumors.
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Improving the tools of clinical pharmacology: Goals for 2017 and beyond.
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Inhibition of Factor Xa : a potential target for the development of new anticoagulants.
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Integration of molecular diagnostics with therapeutics: implications for drug discovery and patient care.
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Introduction of European priority review vouchers to encourage development of new medicines for neglected diseases.
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Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives.
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Inverse molecular design in a tight-binding framework.
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Investigational dopamine antagonists for the treatment of schizophrenia.
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Islets for all?
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Learning from product labels and label changes: how to build pharmacogenomics into drug-development programs.
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Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
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Looking at proteins: representations, folding, packing, and design. Biophysical Society National Lecture, 1992.
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Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors.
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Manipulation of small-molecule inhibitory kinetics modulates MCH-R1 function.
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Market watch: Forecasting market share in the US pharmaceutical market.
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Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening.
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Mechanical stiffness grades metastatic potential in patient tumor cells and in cancer cell lines.
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Mechanistic Investigation of Site-specific DNA Methylating Agents Targeting Breast Cancer Cells.
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Medicine. The need for a global HIV vaccine enterprise.
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Mitogen-activated protein kinases as potential targets for pain killers.
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Model synthesis of nucleoside boranophosphoramidate with amino acid for prodrug purpose.
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Models of retinal diseases and their applicability in drug discovery.
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Molecular determinants of sensitivity to antitumor agents.
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Multidimensional de novo design reveals 5-HT2B receptor-selective ligands.
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Multifactorial Design of a Supramolecular Peptide Anti-IL-17 Vaccine Toward the Treatment of Psoriasis.
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Mutations in a molecule: the virtues of antagonism.
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Natural product glycosyltransferases: properties and applications.
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Navigating the Future of Cardiovascular Drug Development-Leveraging Novel Approaches to Drive Innovation and Drug Discovery: Summary of Findings from the Novel Cardiovascular Therapeutics Conference.
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Neural control of the urethra and development of pharmacotherapy for stress urinary incontinence.
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Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancestor of CH235 lineage CD4bs broadly neutralizing antibodies.
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New antifungal agents under development in children and neonates.
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New applications of disease genetics and pharmacogenetics to drug development.
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New betulinic acid derivatives as potent proteasome inhibitors.
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New drug development in metastatic prostate cancer.
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New pharmacological treatments for urinary incontinence and overactive bladder.
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Novel chemotherapies in development for management of castration-resistant prostate cancer.
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Novel constructs for thrombin inhibition.
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Nuclear hormone receptors as targets for new drug discovery.
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Nuclear receptors as potential therapeutic targets for age-related macular degeneration.
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Nucleic acid aptamers in therapeutic anticoagulation. Technology, development and clinical application.
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Oncogenic pathway signatures in human cancers as a guide to targeted therapies.
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Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents.
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Optimization of the antiviral potency and lipophilicity of halogenated 2,6-diarylpyridinamines as a novel class of HIV-1 NNRTIS.
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Optimizing heparin compounds: a working construct for future antithrombotic drug development.
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Palladium-catalyzed asymmetric diene cyclization/hydrosilylation employing functionalized silanes and disiloxanes.
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Pathways Across the Valley of Death: Novel Intellectual Property Strategies for Accelerated Drug Discovery
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Pediatric cardiovascular safety: challenges in drug and device development and clinical application.
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Personalized medicine: revolutionizing drug discovery and patient care.
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Pharmacological advances in the treatment of insomnia.
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Pipeline pharmacogenetics: a novel approach to integrating pharmaco-genetics into drug development.
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Platelets: developmental biology, physiology, and translatable platforms for preclinical investigation and drug development.
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Potent anticoagulant aptamer directed against factor IXa blocks macromolecular substrate interaction.
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Practical Considerations in the Design and Use of Immunologically Active Fibrillar Peptide Assemblies.
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Priming, boosting, measuring.
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Profiling heparin-chemokine interactions using synthetic tools.
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Protein engineering approaches to biomaterials design.
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RNA aptamers as reversible antagonists of coagulation factor IXa.
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Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity.
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Rational design of a calcium-binding protein.
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Rational design of membrane proximal external region lipopeptides containing chemical modifications for HIV-1 vaccination.
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Reawakening the cellular death program in neoplasia through the therapeutic blockade of IAP function.
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Renal Pre-Competitive Consortium (RPC2): discovering therapeutic targets together.
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Revealing the macromolecular targets of complex natural products.
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SOD therapeutics: latest insights into their structure-activity relationships and impact on the cellular redox-based signaling pathways.
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Seamless Phase IIa/IIb and enhanced dose-finding adaptive design.
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Semi-solid gels function as physical barriers to human immunodeficiency virus transport in vitro.
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Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
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Sphingoid bases and de novo ceramide synthesis: enzymes involved, pharmacology and mechanisms of action.
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Spotlight on isavuconazole in the treatment of invasive aspergillosis and mucormycosis: design, development, and place in therapy.
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Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.
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Strategic use of statistical thinking in drug development.
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Structural Optimizations of Thieno[3,2-b]pyrrole Derivatives for the Development of Metabolically Stable Inhibitors of Chikungunya Virus.
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Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
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Structural insights into inhibition of lipid I production in bacterial cell wall synthesis.
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Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors.
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Structure of the LpxC deacetylase with a bound substrate-analog inhibitor.
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Structure- and Ligand-Dynamics-Based Design of Novel Antibiotics Targeting Lipid A Enzymes LpxC and LpxH in Gram-Negative Bacteria.
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Structure-based Design of Cyclically Permuted HIV-1 gp120 Trimers That Elicit Neutralizing Antibodies.
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Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents.
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Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
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Structures of Bacterial MraY and Human GPT Provide Insights into Rational Antibiotic Design.
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Structures of Cryptococcus neoformans protein farnesyltransferase reveal strategies for developing inhibitors that target fungal pathogens.
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Synthesis and evaluation of a phosphonate analogue of the soluble guanylate cyclase activator YC-1.
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Synthesis of nucleoside 3',5'-cyclic boranophosphorothioate, a new type of cyclic nucleotide.
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Synthesis of nucleoside boranophosphoramidate prodrugs conjugated with amino acids.
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Targeting Akt in cancer therapy.
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Targeting Wnts at the source--new mechanisms, new biomarkers, new drugs.
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Targeting protein neddylation: a novel therapeutic strategy for the treatment of cancer.
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Targeting the B-cell receptor pathway: a review of current and future therapies for non-Hodgkin's lymphoma.
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Targeting the entrance channel of NNIBP: Discovery of diarylnicotinamide 1,4-disubstituted 1,2,3-triazoles as novel HIV-1 NNRTIs with high potency against wild-type and E138K mutant virus.
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Targeting wide-range oncogenic transformation via PU24FCl, a specific inhibitor of tumor Hsp90.
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Teaching old receptors new tricks: biasing seven-transmembrane receptors.
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The Biomarkers Consortium: practice and pitfalls of open-source precompetitive collaboration.
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The MATRICS Consensus Cognitive Battery, part 1: test selection, reliability, and validity.
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The alpha7 nicotinic acetylcholine receptor as a pharmacological target for inflammation.
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The cGMP signaling pathway as a therapeutic target in heart failure with preserved ejection fraction.
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The calm after the cytokine storm: lessons from the TGN1412 trial.
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The clinical application of monoclonal antibody therapies in renal transplantation.
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The convergence of cancer prevention and therapy in early-phase clinical drug development.
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The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs.
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The de novo design of protein structures.
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The design and evaluation of HIV-1 vaccines.
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The integration of molecular diagnostics with therapeutics. Implications for drug development and pathology practice.
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The interplay between structure-based design and combinatorial chemistry.
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The path to personalized medicine.
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The potential of aptamers as anticoagulants.
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The progress and promise of molecular imaging probes in oncologic drug development.
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The purinome, a complex mix of drug and toxicity targets.
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The rational design and construction of a cuboidal iron-sulfur protein.
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The role of antibodies in HIV vaccines.
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Therapeutic aptamers and antidotes: a novel approach to safer drug design.
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Tissue-engineered blood vessels as promising tools for testing drug toxicity.
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Top-down particle fabrication: control of size and shape for diagnostic imaging and drug delivery.
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Treatments for schizophrenia: a critical review of pharmacology and mechanisms of action of antipsychotic drugs.
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Tristetraprolin as a Therapeutic Target in Inflammatory Disease.
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Understanding orthopoxvirus interference with host immune responses to inform novel vaccine design.
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Use of pentamethyldisiloxane in the palladium-catalyzed cyclization/hydrosilylation of functionalized dienes.
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Utilizing the GLP-1 signaling system to treat diabetes: sorting through the pharmacologic approaches.
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Vaccine development for HIV infection.
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What's next in the pipeline.
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Whole-organism screening for gluconeogenesis identifies activators of fasting metabolism.
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Zebrafish assessment of cognitive improvement and anxiolysis: filling the gap between in vitro and rodent models for drug development.
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α7-Nicotinic receptors and cognition.
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Keywords of People
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Alexander, John Hunter Peel,
Professor of Medicine,
Medicine, Cardiology
-
Beratan, David N.,
R.J. Reynolds Distinguished Professor of Chemistry,
Nicholas Institute-Energy Initiative
-
Berchuck, Andrew,
James M. Ingram Distinguished Professor of Gynecologic Oncology,
Obstetrics and Gynecology, Gynecologic Oncology
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Canelas, Dorian,
Associate Professor of the Practice of Chemistry,
Chemistry
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Halabi, Susan,
Professor of Biostatistics & Bioinformatics,
Biostatistics & Bioinformatics
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Katz, David F.,
Nello L. Teer, Jr. Distinguished Professor of Biomedical Engineering, in the Edmund T. Pratt, Jr. School of Engineering,
Biomedical Engineering
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McDonnell, Donald Patrick,
Glaxo-Wellcome Distinguished Professor of Molecular Cancer Biology, in the School of Medicine,
Cell Biology
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Sullivan, Daniel Carl,
Professor Emeritus of Radiology,
Radiology