Ryan G. Coleman

ZINC: A Free Tool to Discover Chemistry for Biology

John J. Irwin, Teague Sterling, Michael M. Mysinger et al. · Journal of Chemical Information and Modeling · 2012 · 2.5K citations · Full text

Molecular Docking, Ligand Discovery, Small Custom Subsets +13

Structure-based maximal affinity model predicts small-molecule druggability

Alan C. Cheng, Ryan G. Coleman, Kathleen T Smyth et al. · Nature Biotechnology · 2007 · 684 citations

Drug Target, Medicine, Small-molecule Druggability +6

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

Jens Carlsson, Ryan G. Coleman, Vincent Setola et al. · Nature Chemical Biology · 2011 · 302 citations · Full text

Ligand Discovery, Crystal Structure, Functional Selectivity +11

Ligand Pose and Orientational Sampling in Molecular Docking

Ryan G. Coleman, Michael Carchia, Teague Sterling et al. · PLoS ONE · 2013 · 216 citations · Full text

New Ligands, Orientation Sampling, Engineering +11

Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery

Marcus Fischer, Ryan G. Coleman, James S. Fraser et al. · Nature Chemistry · 2014 · 153 citations · Full text

Conformational Energy Penalties, Ligand Discovery, Protein Flexibility +10