Calculation of ligand binding free energies from molecular dynamics simulations

International Journal of Quantum Chemistry

Volumn 69, Issue 1, 1998, Pages 77-88

  Marelius, J ^a   Hansson, T ^a   Aqvist J ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Binding free energy; Linear response; Molecular dynamics; Structure based ligand design

Indexed keywords

EID: 0002496235     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)69:1<77::AID-QUA10>3.0.CO;2-2     Document Type: Article

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