Wei Cheng Pang

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Questions related from Wei Cheng Pang

Should I equilibrate protein at different temperature in molecular dynamcis simulation?

I would like to determine the structural changes of my protein at different temperature (eg. 350 K). In gromacs tutorial, the protein is equilibrated using nvt and npt under normal condition (300...

10 April 2019 9,435 3 View

Why protein-ligand conformation is not same as seen from protein crystal structure when redocking using Autodock Vina?

I performed redocking to validate my docking procedure. First, I removed water and then extracted the protein (PDB ID: 3BPF) and ligand into separate pdb files, followed by adding polar hydrogens...

16 March 2019 3,774 5 View