vix.ing · top · new · best · stats · spec

Jeremy R. Greenwood

  1. 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
  2. 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
  3. 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