FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spots

Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery

(2011) David R. Hall et al.   Journal of Chemical Information and Modeling

Structural conservation of druggable hot spots in protein-protein interfaces

(2011) D. Kozakov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Minimal ensembles of side chain conformers for modeling protein-protein interactions

(2011) Dmitri Beglov et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques

(2009) Ryan Brenke et al.   BIOINFORMATICS

Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble

(2008) Melissa R. Landon et al.   Chemical Biology & Drug Design

Protein−Ligand Docking against Non-Native Protein Conformers

(2008) Marcel L. Verdonk et al.   Journal of Chemical Information and Modeling