"Predicting octanol/water partition coefficients using molecular simulation ..."

Spencer J. Sabatino, Andrew S. Paluch (2021)

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DOI: 10.1007/S10822-021-00415-4

access: closed

type: Journal Article

metadata version: 2023-09-30

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Spencer J. Sabatino, Andrew S. Paluch:
Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol. J. Comput. Aided Mol. Des. 35(10): 1009-1024 (2021)

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