How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules?

Junmei Wang, Piotr Cieplak, Peter A. Kollman

Research output: Contribution to journalArticle

3145 Scopus citations
Original languageEnglish (US)
Pages (from-to)1049-1074
Number of pages26
JournalJournal of Computational Chemistry
Volume21
Issue number12
DOIs
StatePublished - Sep 2000

ASJC Scopus subject areas

  • Chemistry(all)
  • Computational Mathematics

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