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Publications by Samarjeet Prasad

Calculating Distribution Coefficients Based on Multi-Scale Free Energy Simulations: An Evaluation of MM and QM/MM Explicit Solvent Simulations of Water-Cyclohexane Transfer in the SAMPL5 Challenge

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2016English

Best Practices for Foundations in Molecular Simulations [Article V1.0]

Living Journal of Computational Molecular Science
2019English

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