Molecular Docking Simulation

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  Subject Areas on Research

  • A DNA mimic: the structure and mechanism of action for the anti-repressor protein AbbA. 
  • Carbon chain shape selectivity by the mouse olfactory receptor OR-I7. 
  • Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor. 
  • Design, synthesis, and analysis of antagonists of GPR55: Piperidine-substituted 1,3,4-oxadiazol-2-ones. 
  • Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. 
  • Inhibition of TRPV1 channels by a naturally occurring omega-9 fatty acid reduces pain and itch. 
  • Inhibition of thyroid hormone sulfotransferase activity by brominated flame retardants and halogenated phenolics. 
  • Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex. 
  • Molecular insights into DNA binding and anchoring by the Bacillus subtilis sporulation kinetochore-like RacA protein. 
  • Numerical Models and In Vitro Assays to Study Odorant Receptors. 
  • Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch. 
  • Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. 
  • Structure and DNA-binding traits of the transition state regulator AbrB. 
  • Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ. 
  • Synthesis and biological evaluation of largazole zinc-binding group analogs. 
  • 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. 
  • Vaccine induction of antibodies against a structurally heterogeneous site of immune pressure within HIV-1 envelope protein variable regions 1 and 2. 
  • Wedelolactone Acts as Proteasome Inhibitor in Breast Cancer Cells. 
  • ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers. 
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  Keywords of People

  • Ferrari, Guido, Associate Professor of Surgery, Molecular Genetics and Microbiology