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Molecular dynamics simulations of nucleic acid-protein complexes.

ABSTRACT: Molecular dynamics simulation studies of protein-nucleic acid complexes are more complicated than studies of either component alone-the force field has to be properly balanced, the systems tend to become very large, and a careful treatment of solvent and of electrostatic interactions is necessary. Recent investigations into several protein-DNA and protein-RNA systems have shown the feasibility of the simulation approach, yielding results of biological interest not readily accessible to experimental methods.

SUBMITTER: Mackerell AD

PROVIDER: S-EPMC2871683 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Molecular dynamics simulations of nucleic acid-protein complexes.

Mackerell Alexander D AD Nilsson Lennart L

Current opinion in structural biology 20080220 2

Molecular dynamics simulation studies of protein-nucleic acid complexes are more complicated than studies of either component alone-the force field has to be properly balanced, the systems tend to become very large, and a careful treatment of solvent and of electrostatic interactions is necessary. Recent investigations into several protein-DNA and protein-RNA systems have shown the feasibility of the simulation approach, yielding results of biological interest not readily accessible to experimen ...[more]

PMID: 18281210

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