Affiliation: Wellcome Trust Genome Campus
- Shape variation in protein binding pockets and their ligandsAbdullah Kahraman
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire, CB10 1SD, UK
J Mol Biol 368:283-301. 2007..Additionally, we observe a "buffer zone" or a region of free space between the ligand and protein, which results in binding pockets being on average three times larger than the ligand that they bind...
- On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteinsAbdullah Kahraman
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, United Kingdom
Proteins 78:1120-36. 2010..The presented results highlight the complexities of molecular recognition and underline the challenges of computational structural biology in developing methods to detect these important subtleties...
- Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisonsRichard J Morris
EMBL EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Bioinformatics 21:2347-55. 2005....