"Efficient calculation of SAMPL4 hydration free energies using OMEGA, ..."

Benjamin A. Ellingson et al. (2014)

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DOI: 10.1007/S10822-014-9720-8

access: open

type: Journal Article

metadata version: 2020-04-16

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  - https://dblp.org/rec/journals/jcamd/EllingsonGWBSN14
Benjamin A. Ellingson, Matthew T. Geballe, Stanislaw Wlodek, Christopher I. Bayly, A. Geoffrey Skillman, Anthony Nicholls:
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK. J. Comput. Aided Mol. Des. 28(3): 289-298 (2014)

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