Development and current status of the CHARMM force field for nucleic acids.
The CHARMM27 all-atom force field for nucleic acids represents a highly optimized model for investigations of nucleic acids via empirical force field calculations. The force field satisfactorily treats the A, B, and Z forms of DNA as well as RNA, and it also useful for nucleosides and nucleotides. In addition, it is compatible with the CHARMM force fields for proteins and lipids, allowing for simulation studies of heterogeneous systems.
MacKerell
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Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 N. Pine Street, Baltimore, MD 21201, USA. alex@outerbanks.umaryland.edu
Banavali
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Foloppe
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D001703:Biophysics / Q000379:methods* / Q000639:trends; D003198:Computer Simulation; D009696:Nucleic Acids / Q000737:chemistry*; D015203:Reproducibility of Results; D055672:Static Electricity; D013329:Structure-Activity Relationship
D009696:Nucleic Acids