"Combining MOSCED with molecular simulation free energy calculations or ..."

Courtney E. Cox et al. (2017)

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DOI: 10.1007/S10822-016-0001-6

access: closed

type: Journal Article

metadata version: 2023-11-12

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Courtney E. Cox, Jeremy R. Phifer, Larissa Ferreira da Silva, Gabriel Gonçalves Nogueira, Ryan T. Ley, Elizabeth J. O'Loughlin, Ana Karolyne Pereira Barbosa, Brett T. Rygelski, Andrew S. Paluch:
Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection. J. Comput. Aided Mol. Des. 31(2): 183-199 (2017)

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