Noncovalent interactions between the second coordination sphere and the active site of [NiFeSe] hydrogenase
Author:
Affiliation:
1. Theoretical and Computational Chemistry Laboratory
2. School of Chemistry
3. Bharathidasan University
4. Tiruchirappalli-620 024
5. India
Abstract
QM/MM studies on seven truncated models of the oxidized as-isolated state of the [NiFeSe] Hases reveal the influence of the residues in the second coordination sphere on the active site.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA11295A
Reference52 articles.
1. Occurrence, Classification, and Biological Function of Hydrogenases: An Overview
2. DENSITY FUNCTIONAL THEORY OF BIOLOGICALLY RELEVANT METAL CENTERS
3. New aspects of H2 activation by nickel-iron hydrogenase
4. Ni−Fe Hydrogenases: A Density Functional Theory Study of Active Site Models
5. Mechanism of H−H Activation by Nickel−Iron Hydrogenase
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