Jeremy R. Greenwood
- Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences
2013/07/04 by Art D. Bochevarov, Arteum D. Bochevarov, Edward Harder +8 · 35 citations
Computer Science · Chemistry · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Free Radicals and Antioxidants #Protein Structure and Dynamics
- Epik: a software program for pK a prediction and protonation state generation for drug-like molecules
2007/09/26 by John C. Shelley, Anuradha Cholleti, Leah L. Frye +3 · 9 citations
Chemistry · Computer Science · #Chemical Reaction Mechanisms #Computational Drug Discovery Methods #Free Radicals and Antioxidants
- Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution
2010/03/30 by Jeremy R. Greenwood, David R. Calkins, David Calkins +3 · 5 citations
Chemistry · #Chemical Reaction Mechanisms #Free Radicals and Antioxidants #Organic Chemistry Cycloaddition Reactions