"Thermodynamic integration to predict host-guest binding affinities."

Morgan Lawrenz et al. (2012)

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DOI: 10.1007/S10822-012-9542-5

access: closed

type: Journal Article

metadata version: 2023-03-21

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Morgan Lawrenz, Jeff Wereszczynski, Juan Manuel Ortiz-Sánchez, Sara E. Nichols, James Andrew McCammon:
Thermodynamic integration to predict host-guest binding affinities. J. Comput. Aided Mol. Des. 26(5): 569-576 (2012)

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