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CHARMM‐GUI High‐throughput Simulator for Efficient Evaluation of Protein–ligand Interactions with Different Force Fields

Hugo Guterres,Sang-Jun Park,Han Zhang,Thomas Perone, Jongtaek Kim,Wonpil Im

Protein Science（2022）

Cited 18|Views23
Key words
docking,force field,molecular dynamics,protein-ligand interactions
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