Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations

Journal of Computational Chemistry ◽

10.1002/jcc.20270 ◽

2005 ◽

Vol 26 (12) ◽

pp. 1294-1305 ◽

Author(s):

Christian Bartels ◽

Armin Widmer ◽

Claus Ehrhardt

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Free Energies ◽

Peptide Analogs ◽

Dynamics Simulations ◽

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