EctSynth_parametrization
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Data files and scripts accompanying the manuscript:
"Comparison of diferent approaches to derive classical bonded force‑feld parameters for a transition metal cofactor: a case study for non‑heme iron site of ectoine synthase"
DOI: 10.1007/s00214-021-02796-z
Justyna Andrys (1), Johann Heider (2), Tomasz Borowski (1)
(1) Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences
ul. Niezapominajek 8, 30-239, Kraków, Poland
E-mail: tomasz.borowski@ikifp.edu.pl
(2) Philipps-Universität Marburg, Karl-von-Frisch Strasse 8, D-35043 Marburg, Germany
创建时间：
2022-11-29
