New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes - researchr publication authors

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Pedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto R. Caffarena, Tirso Pons, Pedro G. Pascutti. New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes. Journal of Computational Chemistry, 31(15):2723-2734, 2010. [doi]

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