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Chelator-Based Parameterization of the 12-6-4 Lennard-Jones Molecular Mechanics Potential for More Realistic Metal Ion-Protein Interactions. (2022)

First Author: Kantakevicius P

Attributed to: CENTRE FOR SYNTHETIC BIOLOGY OF FINE AND SPECIALITY CHEMICALS funded by BBSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00898

PubMed Identifier: 35319190

Publication URI: http://europepmc.org/abstract/MED/35319190

Type: Journal Article/Review

Volume: 18

Parent Publication: Journal of chemical theory and computation

Issue: 4

ISSN: 1549-9618