Open AccessAlchemical Free-Energy Calculations of Watson–Crick and Hoogsteen Base Pairing Interconversion in DNA
Author(s) -
Inacrist Geronimo,
Marco De Vivo
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00848
Subject(s) - pairing , base pair , molecular structure of nucleic acids: a structure for deoxyribose nucleic acid , dna , chemistry , nucleobase , thermodynamics , physics , quantum mechanics , biochemistry , superconductivity