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

Christian Bartels, Armin Widmer, Claus Ehrhardt. Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations. Journal of Computational Chemistry, 26(12):1294-1305, 2005. [doi]

Authors

Christian Bartels

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Armin Widmer

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Claus Ehrhardt

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