In Silico View of Crowding: Biomolecular Processes to Nanomaterial Design
S Rajput, S Panigrahy, D Nayar - ACS Omega, 2024 - ACS Publications
It is widely accepted that deciphering biomolecular structure and function requires going
beyond the single-molecule or single-complex paradigm. The densely packed …
beyond the single-molecule or single-complex paradigm. The densely packed …
GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum …
GENeralized-Ensemble SImulation System (GENESIS) is a molecular dynamics (MD)
software developed to simulate the conformational dynamics of a single biomolecule, as …
software developed to simulate the conformational dynamics of a single biomolecule, as …