Recent developments for the efficient crystallographic refinement of macromolecular structures.
Macromolecular crystallographic refinement has recently been made more efficient by the use of cross-validated maximum likelihood targets and torsion-angle molecular dynamics simulated annealing. In combination with automated model building methods, the amount of manual intervention required to complete and refine a structure is greatly reduced.
Brünger
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Howard Hughes Medical Institute, Yale University, New Haven, CT 06511, USA. brunger@laplace.csb.yale.edu
Adams
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Rice
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LM
D018360:Crystallography, X-Ray / Q000379:methods*; D016013:Likelihood Functions; D046911:Macromolecular Substances; D008956:Models, Chemical; D008958:Models, Molecular
D046911:Macromolecular Substances