Works (3)
Updated: July 5th, 2023 15:58
2006 journal article
Molecular dynamics simulations of DNA with polarizable force fields: Convergence of an ideal B-DNA structure to the crystallographic structure
JOURNAL OF PHYSICAL CHEMISTRY B, 110(23), 11571–11581.
MeSH headings : Base Sequence; Crystallography; DNA / chemistry; Nucleic Acid Conformation
TL;DR:
This is the first example of multiple nanosecond molecular dynamics trajectory that shows an ideal B-DNA model converging to an experimental structure, with a significant decay of RMSD.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2006 journal article
Molecular dynamics simulations of polarizable DNA in crystal environment
International Journal of Quantum Chemistry, 106(15), 3260–3269.
author keywords: DNA; electrostatics; polarizable; crystal
TL;DR:
By imposing the experimental unit cell environment, an initial configuration with ideal B-DNA duplexes in the unit cell acquires sequence-dependent features that very closely resemble the crystallographic ones.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, Crossref
Added: August 6, 2018
2004 journal article
Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer in crystal environment: Comparison of atomic point-charge, extra-point, and polarizable force fields
JOURNAL OF CHEMICAL PHYSICS, 121(14), 6998–7008.
MeSH headings : Computer Simulation; Crystallization; Nucleic Acid Conformation; Oligodeoxyribonucleotides / chemistry; Sequence Analysis, DNA; Thermodynamics
TL;DR:
The polarizable force field provides the most accurate representation of the crystal structure and the sequence-dependent effects observed in the experiment, and points out the need of the inclusion of polarization for accurate descriptions of DNA.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018