Prediction of octanol-water partition coefficients for the SAMPL6-$$\log P$$logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields
2020 ◽
Vol 34
(5)
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pp. 543-560
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Keyword(s):
Log P
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1997 ◽
Vol 101
(38)
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pp. 7361-7363
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Keyword(s):
2017 ◽
Vol 86
(3)
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pp. 279-300
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2015 ◽
Vol 119
(12)
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pp. 4428-4440
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2014 ◽
Vol 141
(4)
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pp. 045102
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2011 ◽
Vol 306
(2)
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pp. 162-170
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2009 ◽
Vol 467
(4-6)
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pp. 417-423
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