Spatial restraints, satisfaction

Because modeling by satisfaction of spatial restraints can use many different types of information about the target sequence, it is perhaps the most promising of all comparative modeling techniques. One of the strengths of modeling by satisfaction of spatial restraints... 

A Sail, TL Blundell. Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 234 779-815, 1993. 

Sali, Blundell, MODELLER CHARMM + Satisfaction of spatial restraints... 

The third method, satisfaction of spatial restraints, adopts a rather different approach to the problem One possible method that would fall into this category would be distance geometry, with the distance constraints being derived from related template structures,... 

Sali A and T L Blundell 1993 Comparative Protein Modelling by Satisfaction of Spatial Restraints Journal of Molecular Biology 234.779-815. 

MODELLER [49] builds models of three-dimensional structures of proteins by satisfaction of spatial restraints distances and dihedral angles in the target sequence, stereochemical restraints such as bond length and bond angle obtained from the CHARMM forcefield, and statistical preferences of dihedral angles and non-bonded atomic distances obtained from a representative set of all known protein structures. The model is then calculated by an optimization method relying... 

MODLOOP (http //alto.compbio.ucsf.edu/modloop/) [49] is a web server for automated modeling of loops in protein structures. The server relies on the loop modeling routine in MODELLER that predicts the loop conformations by satisfaction of spatial restraints. 

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