Open AccessCharacterization of Heparin’s Conformational Ensemble by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Spectroscopy
Author(s) -
J. Joel Janke,
Yanlei Yu,
Vitor H. Pomin,
Jing Zhao,
Chunyu Wang,
Robert J. Linhardt,
Angel E. Garcı́a
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.1c00760
Subject(s) - molecular dynamics , chemistry , conformational ensembles , nuclear magnetic resonance spectroscopy , computational chemistry , chemical physics , stereochemistry
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