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Sangram Prusty

2 results in Authors: Sangram Prusty

Theoretical and Computational Chemistry

Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning

Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Ruqian Wu, Qiang Cui, Allon Hochbaum, Stacy Copp, Sahar Sharifzadeh

Version 2 posted 11 February 2025

275

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Theoretical and Computational Chemistry

Comparative analysis of Im7 dynamics with polarizable and non-polarizable CHARMM family of force fields

Sangram Prusty, Rafael Bruschweiler, Qiang Cui

Version 1 posted 20 January 2025

282

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