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ORCID"Accurate prediction of protonation state as a prerequisite for reliable ..."
Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig (2008)
- 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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