Efficient and Accurate Potential Energy Surfaces of Puckering in Sugar-Modified Nucleosides
Author:
Affiliation:
1. KU Leuven, Rega Institute for Medical Research, Medicinal Chemistry, Herestraat 49 - Box 1041, 3000 Leuven, Belgium
2. Campus Drie Eiken, Laboratory of Medicinal Chemistry, UAntwerp, Universiteitsplein 1, B-2610 Wilrijk, Belgium
Funder
KU Leuven
Fonds Wetenschappelijk Onderzoek
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00270
Reference53 articles.
1. The Thermodynamics and Molecular Structure of Cyclopentane1
2. Conformational analysis of the sugar ring in nucleosides and nucleotides. New description using the concept of pseudorotation
3. General definition of ring puckering coordinates
4. Saenger, W. Principles of Nucleic Acid Structure; 1984; pp 1–8.
5. A crystallographic map of the transition from B-DNA to A-DNA
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