Andrew L. Hopkins

Quantifying the chemical beauty of drugs

G. Richard Bickerton, Gaia V. Paolini, Jérémy Besnard et al. · Nature Chemistry · 2012 · 2.1K citations

Medicinal Chemistry, Drug Design, Medicine +10

Automated design of ligands to polypharmacological profiles

Jérémy Besnard, G.F. Ruda, Vincent Setola et al. · Nature · 2012 · 832 citations · Full text

Engineering, Ligand-based Drug Design, Drug Design +8

Global mapping of pharmacological space

Gaia V. Paolini, Richard H B Shapland, Willem P. van Hoorn et al. · Nature Biotechnology · 2006 · 813 citations · Full text

Local Pharmacology, Pharmacology, Global Mapping +2

Complexes of HIV-1 Reverse Transcriptase with Inhibitors of the HEPT Series Reveal Conformational Changes Relevant to the Design of Potent Non-Nucleoside Inhibitors

Andrew L. Hopkins, Jingshan Ren, Robert Esnouf et al. · Journal of Medicinal Chemistry · 1996 · 339 citations · Full text

Biochemistry, Protein Folding, Medicine +15

Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor

Robert Esnouf, Jingshan Ren, Andrew L. Hopkins et al. · Proceedings of the National Academy of Sciences · 1997 · 190 citations · Full text