title: Molecular modeling of nucleic acid structure: energy and sampling.
abstract: An overview of computer simulation techniques as applied to nucleic acid systems is presented. This unit discusses methods used to treat energy and to sample representative configurations. Emphasis is placed on molecular mechanics and empirical force fields.
authors: Department of Medicinal Chemistry, College of Pharmacy, University of Utah, Salt Lake City, Utah.
authors: Christina
authors: C
authors: Bergonzo
authors: Department of Medicinal Chemistry, College of Pharmacy, University of Utah, Salt Lake City, Utah.
authors: Rodrigo
authors: R
authors: Galindo-Murillo
authors: Department of Medicinal Chemistry, College of Pharmacy, University of Utah, Salt Lake City, Utah.
authors: Thomas E
authors: TE
authors: Cheatham
mesh_terms: D003198:Computer Simulation; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009696:Nucleic Acids / Q000737:chemistry*; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D009696:Nucleic Acids
keywords: experimental determination of structure; force fields; molecular dynamics; molecular modeling; nucleic acid chemistry; nucleic acid structure and folding; structural analysis of biomolecules