"Accurate prediction of protonation state as a prerequisite for reliable ..."

Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig (2008)

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DOI: 10.1002/JCC.20821

access: closed

type: Journal Article

metadata version: 2020-05-30

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  - https://dblp.org/rec/journals/jcc/WittayanarakulHF08
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig:
Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors. J. Comput. Chem. 29(5): 673-685 (2008)

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