5 Works

Apo SARS-CoV PLPro

Chia-en Chang, Yuliana Bosken & Timothy Cholko
1μs MD trajectory generated using Amber, FF14SB force field trajectory, stripped of water molecules and counter ions.

Apo SARS-CoV-2 PLPro (from PDB 6W9C C-chain)

Chia-en Chang, Yuliana Bosken & Timothy Cholko
1μs MD trajectory generated using Amber, FF14SB force field trajectory, stripped of water molecules and counter ions.

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

Chia-en Chang, Yuliana Bosken & Timothy Cholko
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.

3k bound SARS-CoV PLPro

Chia-en Chang, Yuliana Bosken & Timothy Cholko
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.

Apo SARS-CoV-2 PLPro (from PDB 6WRH C-chain)

Chia-en Chang, Yuliana Bosken & Timothy Cholko
1μs MD trajectory generated using Amber, FF14SB force field trajectory, stripped of water molecules and counter ions.

Registration Year

  • 2020
    5

Resource Types

  • Model
    5

Affiliations

  • University of California, Riverside
    5