Molecular Dynamics simulations of SARS-CoV and SARS-CoV-2 main proteases in monomeric/dimeric and apo/holo states.
Mustafa Tekpinar, Ahmet Yıldırım · Zenodo (CERN European Organization for Nuclear Research) · 2020
Molecular Dynamics trajectories and reference pdb files of SARS-CoV and SARS-CoV-2 main proteases in monomeric/dimeric and apo/holo states. The trajectories presented in this work were analyzed and presented in "Impact of dimerization and N3 binding on molecular dynamics of SARS-CoV and SARS-CoV-2 main proteases" in Journal of Biomolecular Structure and Dynamics (https://doi.org/10.1080/07391102.2021.1880481).