Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design
Peter R. Curran(University of Cambridge), Jason C. Cole(Cambridge Crystallographic Data Centre), Mihaela Smilova(University of Oxford), Brian D. Marsden(Centre for Human Genetics), Richard A. Sykes(Cambridge Crystallographic Data Centre), A.R. Bradley(University of Oxford), Andrew R. Leach(LifeArc), Alícia P. Higueruelo(University of Cambridge), David R. Spring(University of Cambridge), Tom L. Blundell(University of Cambridge), William R. Pitt(UCB Pharma (United Kingdom)), Chris J. Radoux(European Bioinformatics Institute)
Cited by 22
Related Papers
Comparative Protein Modelling by Satisfaction of Spatial Restraints
|Journal of Molecular Biology|1993|13.2k
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
|Journal of Molecular Biology|1997|6.7k
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
|Journal of Medicinal Chemistry|2015|5.3k
ChEMBL: towards direct deposition of bioassay data
|Nucleic Acids Research|2018|2.5k
The ChEMBL database in 2017
|Nucleic Acids Research|2016|2.4k