Ontology highlight
ABSTRACT:
SUBMITTER: Gaillard T
PROVIDER: S-EPMC3203201 | biostudies-literature | 2011 Oct
REPOSITORIES: biostudies-literature
Gaillard Thomas T Case David A DA
Journal of chemical theory and computation 20111001 10
DNA structural deformations and dynamics are crucial to its interactions in the cell. Theoretical simulations are essential tools to explore the structure, dynamics, and thermodynamics of biomolecules in a systematic way. Molecular mechanics force fields for DNA have benefited from constant improvements during the last decades. Several studies have evaluated and compared available force fields when the solvent is modeled by explicit molecules. On the other hand, few systematic studies have asses ...[more]