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The role of glutathione S-transferases in human disease pathogenesis and their current inhibitors - ScienceDirect

Trani, E

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Variation:8 Quarts

Finally, the prepared system for each receptor-ligand complex was allowed for 100 ns MD simulation under default parameters using OPLS-2005 force field with the normal temperature (300 K) and pressure (1 bar), and a total of 10,000 frames were accumulated at successive 10 ps interval with molecular dynamics tool in the free academic Desmond module with Maestro-Schrödinger suite 2018-4 interface