Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions-Reference-Cited by-同舟云学术

Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions

Published:2022-06-16 Issue:7 Volume:18 Page:4304-4317
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Giese Timothy J.¹^ORCID,Zeng Jinzhe¹^ORCID,Ekesan Şölen¹^ORCID,York Darrin M.¹^ORCID

Affiliation:

1. Laboratory for Biomolecular Simulation Research, Center for Integrative Proteomics Research and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States

Funder

National Institutes of Health

Grossman Innovation Prize

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00151

Reference105 articles.

1. Unifying the Current Data on the Mechanism of Cleavage–Transesterification of RNA

2. Kinetics and Mechanisms for the Cleavage and Isomerization of the Phosphodiester Bonds of RNA by Brønsted Acids and Bases

3. Biological Phosphoryl-Transfer Reactions: Understanding Mechanism and Catalysis

4. Biomedical applications of RNA-based devices

5. Isotope Effects in the Study of Phosphoryl and Sulfuryl Transfer Reactions

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