Author: "Fan, Shujie" / Topic: molecular dynamics - Searchworks@Jio Institute Digital Library Search Results

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Your search keyword '"Fan, Shujie"' showing total 2 results

Start Over Author "Fan, Shujie" Topic molecular dynamics

2 results on '"Fan, Shujie"'

1. Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules

Author: Fan, Shujie, Nedev, Hristo, Vijayan, Ranjit, Iorga, Bogdan I., and Beckstein, Oliver
Published: 2021
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2. Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields

Author: Fan, Shujie, Iorga, Bogdan I., and Beckstein, Oliver
Published: 2020
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