SARS CoV-2 Delta/D614G simulations

Published: 26 June 2025| Version 1 | DOI: 10.17632/ryfymhpptw.1
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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Institutions

  • Northeastern University

Categories

Molecular Dynamics, Severe Acute Respiratory Syndrome Coronavirus 2

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