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pyMDMix

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Molecular dynamics with aqueous-organic solvent mixtures

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Description

This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014.

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Additional Project Details

Intended Audience

Science/Research

Programming Language

Python

Registered

2013-07-16

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