Bert E. Thomas

Pharmacophore‐based molecular docking to account for ligand flexibility

Diane Joseph‐McCarthy, Bert E. Thomas, Michael Belmarsh et al. · Proteins Structure Function and Bioinformatics · 2003 · 79 citations

Drug Target, Molecular Biology, Molecular Graphic +16

Transition Structures of Thermally Allowed Disrotatory Electrocyclizations. The Prediction of Stereoselective Substituent Effects in Six-Electron Pericyclic Reactions

Jeffrey D. Evanseck, Bert E. Thomas, David C. Spellmeyer et al. · The Journal of Organic Chemistry · 1995 · 68 citations

Chemical Engineering, Engineering, Organic Electrochemistry +14

Secondary Kinetic Isotope Effects of Diastereotopic Protons in Pericyclic Reactions: A New Mechanistic Probe

Olaf Wiest, K. N. Houk, Kersey A. Black et al. · Journal of the American Chemical Society · 1995 · 66 citations

Engineering, Nuclear Physics, Nuclear Data +19

Design and synthesis of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. part 4: Biological evaluation of imidazobenzodiazepines as potent PARP-1 inhibitors for treatment of ischemic injuries

Dana Ferraris, Rica Pargas Ficco, David Dain et al. · Bioorganic & Medicinal Chemistry · 2003 · 55 citations

Medicinal Chemistry, Pharmacology, Potent Parp-1 Inhibitors +7

Electrocyclic reactions of 1-substituted 1,3,5,7-octatetraenes. An ab initio molecular orbital study of torquoselectivity in eight-electron electrocyclizations

Bert E. Thomas, Jeffrey D. Evanseck, K. N. Houk · Journal of the American Chemical Society · 1993 · 48 citations

Chemical Engineering, Engineering, Heterocyclic +14