Molecular dynamics and free energy perturbation study of hydride-ion transfer step in dihydrofolate reductase using combined quantum and molecular mechanical model

Journal of Computational Chemistry

Volumn 19, Issue 8, 1998, Pages 977-988

  Cummins, Peter L ^a   Gready, Jill E ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

Catalysis; Free energy; Hydride ion; Molecular dynamics; Quantum mechanical molecular mechanical

Indexed keywords

EID: 0001704148     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199806)19:8<977::AID-JCC15>3.0.CO;2-4     Document Type: Article

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