John C. Shelley

According to our database, John C. Shelley authored at least 5 papers between 2007 and 2014.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2014

Macrocycle Conformational Sampling with MacroModel.

K. Shawn Watts, Pranav Dalal, Andrew J. Tebben, Daniel L. Cheney, John C. Shelley

J. Chem. Inf. Model., 2014

2011

Comments on the Article "Evaluation of p<i>K</i>_a Estimation Methods on 211 Druglike Compounds".

John C. Shelley, David Calkins, Arron P. Sullivan

J. Chem. Inf. Model., 2011

2010

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers.

K. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman, Richard A. Friesner, John C. Shelley

J. Chem. Inf. Model., 2010

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution.

Jeremy R. Greenwood, David Calkins, Arron P. Sullivan, John C. Shelley

J. Comput. Aided Mol. Des., 2010

2007

Epik: a software program for pK_<i>a</i> prediction and protonation state generation for drug-like molecules.

John C. Shelley, Anuradha Cholleti, Leah L. Frye, Jeremy R. Greenwood, Mathew R. Timlin, Makoto Uchimaya

J. Comput. Aided Mol. Des., 2007