MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.
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J Chem Inf Model. 2023 Mar 13;63(5):1406-1412. doi: 10.1021/acs.jcim.2c01620. Epub 2023 Feb 22.
J Chem Inf Model. 2023.
PMID: 36811959
Free PMC article.