Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.
Schiffer
Celia
C
Department of Biochemistry and Molecular Pharmacology, University of Massachusetts, Medical School, Worcesster, Massachusetts 01655, USA.
Hermans
Jan
J
D002623:Chemistry Techniques, Analytical / Q000379:methods*; D003198:Computer Simulation; D018360:Crystallography, X-Ray / Q000379:methods; D003627:Data Interpretation, Statistical; D008958:Models, Molecular; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry*; D011789:Quantum Theory; D012997:Solvents
D011506:Proteins; D012997:Solvents