Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease

H. T. Henry Chan, A. Sofia F. Oliveira, Christopher J. Schofield, Adrian J. Mulholland^*, Fernanda Duarte^*

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

12 Citations (Scopus)

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HPC (High Performance Computing) and HTC (High Throughput Computing) Facilities
Alam, S. R. (Manager), Eccleston, P. E. (Other), Williams, D. A. G. (Manager) & Atack, S. H. (Other)
Facility/equipment: Facility
Research Data Storage Facility (RDSF)
Alam, S. R. (Manager), Williams, D. A. G. (Manager) & Eccleston, P. E. (Manager)
IT Services
Facility/equipment: Facility