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"Prediction of octanol-water partition coefficients for the SAMPL6-log P ..."
Shujie Fan, Bogdan I. Iorga, Oliver Beckstein (2020)
- Shujie Fan
, Bogdan I. Iorga
, Oliver Beckstein
:
Prediction of octanol-water partition coefficients for the SAMPL6-log P molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields. J. Comput. Aided Mol. Des. 34(5): 543-560 (2020)
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