articleJournal of Computer-Aided Molecular DesignMar 30, 2010Closed access

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

JRJeremy R. GreenwoodDRDavid R. CalkinsASArron SullivanJCJohn C. Shelley

Schrodinger (United States)

PubMed
Indexed incrossrefpubmed

Abstract

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978
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Topics & keywords

Topics
Keywords
  • Tautomer
  • Substituent
  • Protonation
  • Computational chemistry
  • Molecule
  • Aqueous solution
  • Computer science
  • Chemistry
UN Sustainable Development Goals
  • Affordable and clean energy
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