Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations

Published:2021-10-15 Issue:11 Volume:61 Page:5569-5580
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ramírez-Palacios Carlos¹²^ORCID,Wijma Hein J.¹^ORCID,Thallmair Sebastian²³^ORCID,Marrink Siewert J.²^ORCID,Janssen Dick B.¹^ORCID

Affiliation:

1. Biotransformation and Biocatalysis, Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

2. Molecular Dynamics, Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands

3. Frankfurt Institute for Advanced Studies, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main, Germany

Funder

Consejo Nacional de Ciencia y Tecnolog??a

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00617

Reference73 articles.

1. A quantum chemical study of the ω-transaminase reaction mechanism

2. Industrial Methods for the Production of Optically Active Intermediates