Samarjeet Prasad
6PUBLICATIONS
23CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (6)
Sort by Publication Date:
|May 09, 2025
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods.Samarjeet Prasad, Felix Aviat, James E Gonzales
|Aug 30, 2021
Best Practices for Alchemical Free Energy Calculations [Article v1.0].Antonia S J S Mey, Bryce K Allen, Hannah E Bruce Macdonald
|May 12, 2021
The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetry.Samarjeet Prasad, Andrew C Simmonett, Rubén Meana-Pañeda
|Feb 01, 2020
A deep learning approach for the blind logP prediction in SAMPL6 challenge.Samarjeet Prasad, Bernard R Brooks
|Dec 03, 2019
Best Practices for Foundations in Molecular Simulations [Article v1.0].Efrem Braun, Justin Gilmer, Heather B Mayes
|Oct 03, 2018
An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge.Samarjeet Prasad, Jing Huang, Qiao Zeng
Pageof 1
Frequent Collaborators
3 joint publications
Justin Gilmer
2 joint publications
Bernard R Brooks
1 joint publications
Efrem Braun
1 joint publications
Jacob I Monroe
1 joint publications
Daniel M Zuckerman
1 joint publications
Andrew C Simmonett
1 joint publications
Rubén Meana-Pañeda
1 joint publications
Antonia S J S Mey
1 joint publications
Bryce K Allen
1 joint publications
Hannah E Bruce Macdonald
