TY - JOUR
T1 - Coarse Graining DNA: Symmetry, Nonlocal Elasticity, and Persistence Length
AU - Fosado, Yair Augusto Gutierrez
AU - Landuzzi, Fabio
AU - Sakaue, Takahiro
PY - 2023/2/3
Y1 - 2023/2/3
N2 - While the behavior of double-stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein interactions and the nucleosome diffusion mechanism. Here, by employing the rigid base-pair model, we connect its microscopic parameters to the persistence length. Combined with all-atom molecular dynamic simulations, our scheme identifies relevant couplings between different degrees of freedom at each coarse-graining step. This allows us to clarify how the scale dependence of the elastic moduli is determined in a systematic way encompassing the role of previously unnoticed off-site couplings between deformations with different parity.
AB - While the behavior of double-stranded DNA at mesoscopic scales is fairly well understood, less is known about its relation to the rich mechanical properties in the base-pair scale, which is crucial, for instance, to understand DNA-protein interactions and the nucleosome diffusion mechanism. Here, by employing the rigid base-pair model, we connect its microscopic parameters to the persistence length. Combined with all-atom molecular dynamic simulations, our scheme identifies relevant couplings between different degrees of freedom at each coarse-graining step. This allows us to clarify how the scale dependence of the elastic moduli is determined in a systematic way encompassing the role of previously unnoticed off-site couplings between deformations with different parity.
UR - https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=pure_uoe&SrcAuth=WosAPI&KeyUT=WOS:001031097300012&DestLinkType=FullRecord&DestApp=WOS_CPL
U2 - 10.1103/PhysRevLett.130.058402
DO - 10.1103/PhysRevLett.130.058402
M3 - Article
C2 - 36800451
SN - 0031-9007
VL - 130
SP - 1
EP - 6
JO - Physical Review Letters
JF - Physical Review Letters
IS - 5
M1 - 058402
ER -