Simulated annealing with restrained molecular dynamics using a flexible restraint potential: theory and evaluation with simulated NMR constraints.
Bassolino-Klimas D, Tejero R, Krystek SR, Metzler WJ, Montelione GT, Bruccoleri RE.
Bassolino-Klimas D, et al. Among authors: bruccoleri re.
Protein Sci. 1996 Apr;5(4):593-603. doi: 10.1002/pro.5560050404.
Protein Sci. 1996.
PMID: 8845749
Free PMC article.
A new functional representation of NMR-derived distance constraints, the flexible restraint potential, has been implemented in the program CONGEN (Bruccoleri RE, Karplus M, 1987, Biopolymers 26:137-168) for molecular structure generation. ...
A new functional representation of NMR-derived distance constraints, the flexible restraint potential, has been implemented in the program C …