[NMR paper] Refinement of NMR structures using implicit solvent and advanced sampling techniques.
Refinement of NMR structures using implicit solvent and advanced sampling techniques.
Related Articles Refinement of NMR structures using implicit solvent and advanced sampling techniques.
J Am Chem Soc. 2004 Dec 15;126(49):16038-47
Authors: Chen J, Im W, Brooks CL
NMR biomolecular structure calculations exploit simulated annealing methods for conformational sampling and require a relatively high level of redundancy in the experimental restraints to determine quality three-dimensional structures. Recent advances in generalized Born (GB)...