Trajectories of all MD simulations performed of Spike RBD/hACE2 complexes (WT, Delta, BA.1 to BA.4)
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Trajectories (.dcd) of the molecular dynamics simulations performed on Spike RBD / hACE2 complexes Protein structure files (.psf) prepared with Charmm36m topology / parameters For the WT (SARS-CoV-2 original strain), 6 additional replicas were uploaded, 3 including all glycans present on both spike and hACE2 et 3 replicas without glycan as control simulations.
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Zenodo创建时间：
2024-11-29
