Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK
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Title
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK
Authors
Keywords
SAMPL, SAMPL4, OpenEye, OMEGA, QUACPAC, SZYBKI, Zap, Freeform, Poisson–Boltzmann, PB, PBSA, AM1BCC, Solvation, Hydration free energy
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 28, Issue 3, Pages 289-298
Publisher
Springer Nature
Online
2014-03-18
DOI
10.1007/s10822-014-9720-8
References
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