A Mixed Quantum Mechanics/Molecular Mechanics (QM/MM) Method for Large-Scale Modeling of Chemistry in Protein Environments

Journal of Computational Chemistry

Volumn 21, Issue 16, 2000, Pages 1442-1457

  Murphy, R B ^a   Philipp, D M ^b   Friesner, R A ^c  

^a SCHRÖDINGER INC   (United States)

^b CITY OF HOPE NATIONAL MEDICAL CENTER   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Density functional theory (DFT); Enzyme chemistry; P450; QM MM

Indexed keywords

EID: 0001664118     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(200012)21:16<1442::AID-JCC3>3.0.CO;2-O     Document Type: Article

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