Andrew R Leach

Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.

Daniel A. Gschwend, Andrew C Good, Roderick E Hubbard, 2003, Journal of molecular graphics & modelling.

Fragment screening: an introduction.

Andrew R Leach, Michael M Hann, Jeremy N Burrows, 2006, Molecular bioSystems.

A Comparison of Field-Based Similarity Searching Methods: CatShape, FBSS, and ROCS

Valerie J Gillet, Gianpaolo Bravi, Martin Whittle, 2008, J. Chem. Inf. Model..

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design

Jason C Cole, David R Spring, Richard A. Sykes, 2020, J. Chem. Inf. Model..

Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions

Elina Parri, Krister Wennerberg, Tero Aittokallio, 2017, Cell chemical biology.

Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors.

Stefan Senger, Matthew Campbell, Andrew R Leach, 2006, Bioorganic & medicinal chemistry letters.

A large-scale dataset of in vivo pharmacology assay results

Anne Hersey, Anna Gaulton, Nicolas Bosc, 2018, Scientific Data.

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps.

Brian K Shoichet, Andrew R Leach, A. Leach, 2006, Journal of medicinal chemistry.