Simulated annealing with restrained molecular dynamics using a flexible restraint potential: theory and evaluation with simulated NMR constraints.

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. In addition, flat-bottomed restraint potentials for represent...

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Detalhes bibliográficos
Main Authors: Bassolino-Klimas, D., Tejero, R., Krystek, S. R., Metzler, W. J., Montelione, G. T., Bruccoleri, R. E.
Formato: Artigo
Idioma:Inglês
Publicado em: Cold Spring Harbor Laboratory Press 1996
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2143380/
https://ncbi.nlm.nih.gov/pubmed/8845749
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