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On the Role of Dewetting Transitions in Host–Guest Binding Free Energy Calculations
Rogers, Kathleen E., Ortiz-Sánchez, Juan Manuel, Baron, Riccardo, Fajer, Mikolai, de Oliveira, César Augusto F., McCammon, J. AndrewVolume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300515n
Date:
January, 2013
File:
PDF, 4.69 MB
english, 2013