MS_M1-Zn2DapE

Published: 20 January 2023| Version 1 | DOI: 10.17632/46sz8vg2mr.1
Contributor:
Atanuka Paul

Description

Contains geometry files for QM/MM calculations for mixed-metal DapE enzyme (M1-Zn2DapE) and log files for Co(II)-LS substituted mixed-metal DapE enzyme (Co_LS-Zn2DapE)

Files

Institutions

Indian Institute of Technology Kharagpur Department of Chemistry

Categories

Computational Chemistry

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