title: Molecular dynamics applied to X-ray structure refinement.
abstract: Simulated annealing, in the form of temperature-controlled molecular dynamics, has been successfully applied to macromolecular X-ray structure optimization. The theory and practice of the method are reviewed, and some recent improvements are described.
authors.affiliation: The Howard Hughes Medical Institute, Departments of Molecular and Cellular Physiology, Neurology and Neurological Sciences, Stanford University, 1201 Welch Road, Stanford, California 94305, USA. axel.brunger@stanford.edu
authors.forename: Axel T
authors.initials: AT
authors.lastname: Brunger
authors.forename: Paul D
authors.initials: PD
authors.lastname: Adams
mesh_terms: D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D015394:Molecular Structure; D009038:Motion; D013696:Temperature; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D001704:Biopolymers