Published July 13, 2020 | Version v1
Dataset Open

Enzyme-inhibitor complexes of unithiol with metallo-beta-lactamases and a NDM1-meropenem enzyme-substrate complex

Authors/Creators

  • 1. Lomonosov Moscow State University

Description

Gemetry configurations obtained at the QM(PBE0-D3/(6-31G**+LANL2DZ(Zn)))/MM(CHARMM) level of theory.

 

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