Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation-Reference-Cited by-同舟云学术

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation

Published:2013-06-07 Issue:6 Volume:53 Page:1315-1323
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kaiyawet Nopporn¹,Rungrotmongkol Thanyada²,Hannongbua Supot¹

Affiliation:

1. Computational Chemistry Unit Cell, Department of Chemistry, Faculty of Science, Chulalongkorn University, 254 Phayathai Road, Patumwan, Bangkok 10330, Thailand

2. Department of Biochemistry, Faculty of Science, Chulalongkorn University, 254 Phayathai Road, Bangkok 10330, Thailand

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/ci400131y

Reference42 articles.

1. Plastic adaptation toward mutations in proteins: Structural comparison of thymidylate synthases

2. Stereochemistry of a multistep/bipartite methyl transfer reaction: thymidylate synthase

3. THE CATALYTIC MECHANISM AND STRUCTURE OF THYMIDYLATE SYNTHASE

4. Kinetic Scheme for Thymidylate Synthase from Escherichia coli: Determination from Measurements of Ligand Binding, Primary and Secondary Isotope Effects, and Pre-Steady-State Catalysis

5. Perspectives on the design and biochemical pharmacology of inhibitors of thymidylate synthetase

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