Michael Peterson

Journal Article Journal of Physical Chemistry B · October 28, 2004 The binding site of ochratoxin A (OTA) within domain 2A of human serum albumin (HSA) is examined by theoretical simulations and site-directed mutagenesis experiments. The calculated binding constant, based on docking experiments and theoretical affinity co ... Full text Cite

The Principle of Maximum Chiral Discrimination: Chiral Recognition in Permethyl-beta-cyclodextrin.

Journal Article The Journal of organic chemistry · February 1998 Five guest molecules, isomenthone, pulegone, 1-fluoro-1-phenylethane, 1-phenylethanol, and 2-methylbutanoic acid, binding to permethyl-beta-cyclodextrin, a chiral host molecule, have been simulated by molecular dynamics techniques. From the simulations we ... Full text Cite

Locating Regions of Maximum Chiral Discrimination: A Computational Study of Enantioselection on a Popular Chiral Stationary Phase Used in Chromatography

Journal Article Journal of the American Chemical Society · November 1, 1997 Full text Cite

Structure and dynamics of cellulose triacetate

Journal Article Journal of Molecular Structure: THEOCHEM · May 1997 Full text Cite

ENANTIOSELECTIVE BINDING IN GAS CHROMATOGRAPHY:A COMPUTATIONAL STUDY OF CHIRAL SELECTION BYPERMETHYL-?-CYCLODEXTRIN

Journal Article Journal of Physical Organic Chemistry · May 1997 Full text Cite

Explanation of Where and How Enantioselective Binding Takes Place on Permethylated β-Cyclodextrin, a Chiral Stationary Phase Used in Gas Chromatography

Journal Article Journal of the American Chemical Society · January 1, 1997 Full text Cite

Evaluation of moment statistics for molecular modeling

Journal Article Journal of Computational Chemistry · March 1995 AbstractThe concept of moment statistics for evaluating conformations of molecules derived from molecular dynamics simulations is presented. A comparison of the rigidity of tetralin with benzene and cyclohexane, the effect ... Full text Cite

THEORETICAL INVESTIGATIONS OF ENANTIODIFFERENTIATION ON OLIGOMERIC AND POLYMERIC SUGARS

Journal Article ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · March 13, 1994 Link to item Cite

Molecular mechanics in organic synthesis

Journal Article Chemical Reviews · November 1, 1993 Full text Cite

Theoretical study of the nature of the bonding in zirconium and titanium complexes [Cp2M(.mu.-X)]2, where M = Zr (X = I, PH2, and NH) and M = Ti (X = Cl)

Journal Article Organometallics · July 1993 Full text Cite

Theoretical study of enantiodifferentiation in solid state cyclodextrins

Journal Article Chirality · January 1993 AbstractA molecular mechanics investigation of R‐ vs. S‐phenylethanol, R‐ vs. S‐mandelic acid, R‐ vs. S‐flurbiprofen, and R‐ vs. S‐fenoprofen in their cyclodextrin crystal environments was undertaken. It was found that the ... Full text Cite

A theoretical study of the linear versus bent geometry for several MX2 molecules: MgF2, CaH2, CaF2, CeO2 and YbCl2

Journal Article Polyhedron · January 1990 Full text Cite