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List of works by Samarjeet Prasad

A deep learning approach for the blind logP prediction in SAMPL6 challenge

scientific article published on 30 January 2020

An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge

scientific article published on 01 October 2018

Best Practices for Alchemical Free Energy Calculations [Article v1.0]

scientific article published in 2020

Best Practices for Foundations in Molecular Simulations [Article v1.0]

scientific article published on 29 November 2018

The Extended Eighth‐Shell method for periodic boundary conditions with rotational symmetry

scientific article published on 12 May 2021

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