John C. Shelley

Publication Activity (10 Years)

Years Active: 2007-2014
Publications (10 Years): 0

Top Topics

Top Venues

J. Chem. Inf. Model.

Publications

K. Shawn Watts, Pranav Dalal, Andrew J. Tebben, Daniel L. Cheney, John C. Shelley
Macrocycle Conformational Sampling with MacroModel. J. Chem. Inf. Model. 54 (10) (2014)
John C. Shelley, David Calkins, Arron P. Sullivan
Estimation Methods on 211 Druglike Compounds". J. Chem. Inf. Model. 51 (1) (2011)
K. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman, Richard A. Friesner, John C. Shelley
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers. J. Chem. Inf. Model. 50 (4) (2010)
Jeremy R. Greenwood, David Calkins, Arron P. Sullivan, John C. Shelley
Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution. J. Comput. Aided Mol. Des. 24 (6-7) (2010)
John C. Shelley, Anuradha Cholleti, Leah L. Frye, Jeremy R. Greenwood, Mathew R. Timlin, Makoto Uchimaya
prediction and protonation state generation for drug-like molecules. J. Comput. Aided Mol. Des. 21 (12) (2007)