Comparison of enzyme polarization of ligands and charge‐transfer effects for dihydrofolate reductase using point‐charge embedded ab initio quantum mechanical and linear‐scaling semiempirical quantum mechanical methods

Stephen P. Greatbanks, Jill E. Gready, Ajay C. Limaye, Alistair P. Rendell

Research output: Contribution to journalArticle

34 Citations (Scopus)
Original languageEnglish
Pages (from-to)788-811
Number of pages24
JournalJournal of Computational Chemistry
Volume21
Issue number9
DOIs
Publication statusPublished - 15 Jul 2000
Externally publishedYes

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