research product . Model . 2020

3k bound SARS-CoV-2 PLPro (3k docked to frame from trajectory of PDB 6W9C C-chain)

Chang, Chia-en; Bosken, Yuliana; Cholko, Timothy;
  • Published: 01 Jan 2020
  • Publisher: Chang Group
Abstract
1μs MD trajectory generated using Amber, FF14SB force field trajectory, GAFF2 for ligand, AM1-BCC charges for ligand; stripped of water molecules and counter ions.
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