Dynamics of the activated state of NAD-dependent dehydrogenase investigated by a weighted histogram analysis semi-empirical method-Reference-Cited by-同舟云学术

Dynamics of the activated state of NAD-dependent dehydrogenase investigated by a weighted histogram analysis semi-empirical method

Published:2024 Issue:13 Volume:14 Page:3629-3637
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

de Souza João C. P.¹²^ORCID,Silva Wanderson O.¹³^ORCID,Freitas Luis P. M.⁴^ORCID,Colombo Rafael N. P.¹^ORCID,Iost Rodrigo M.¹^ORCID,Feliciano Gustavo T.⁴^ORCID,Lima Fábio H. B.¹^ORCID,Crespilho Frank N.¹^ORCID

Affiliation:

1. São Carlos Institute of Chemistry, University of São Paulo, São Carlos, SP 13560-970, Brazil

2. Department of Chemistry, Faculty of Sciences, São Paulo State University, Bauru, SP 17033-360, Brazil

3. Institute of Systems Engineering, HES-SO Valais-Wallis, CH-1950 Sion, Switzerland

4. Department of Chemistry, Institute of Chemistry, São Paulo State University (UNESP), 14800-060 Araraquara, Brazil

Abstract

Dynamics and catalytic activities of the redox enzyme's active site. Elucidation of the molecular dynamics of alcohol dehydrogenase by using weighted histogram analysis semi-empirical method (WHA-SEM) and umbrella sampling.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CY/D4CY00125G

Reference20 articles.

1. Mechanism of Action of Yeast Alcohol Dehydrogenase

2. Specific base catalysis by yeast alcohol dehydrogenase I with substitutions of histidine-48 by glutamate or serine residues in the proton relay system

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4. Yeast Alcohol Dehydrogenase Structure and Catalysis

5. Carbon-negative production of acetone and isopropanol by gas fermentation at industrial pilot scale