SARS CoV-2 Delta/D614G simulations

Published: 11 July 2026| Version 2 | DOI: 10.17632/ryfymhpptw.2
Contributor:
Srirupa Chakraborty

Description

5 trajectories - each of 1 microsecond production run of atomistic MD simulations, after 200ns of equilibration. CHARMM26 forcefield. Two systems: Delta variant, and early D614G variant. Each system is simulated in both RBD up (Spike open) and RBD down (Spike closed) conformations.

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Categories

Molecular Dynamics, Severe Acute Respiratory Syndrome Coronavirus 2

Related Links

Article
https://www.biorxiv.org/content/10.1101/2025.03.11.642723v1
is related to this dataset

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