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On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation method

โœ Scribed by Piela, Lucjan; Kostrowicki, Jaroslaw; Scheraga, Harold A.

Book ID
120163626
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
908 KB
Volume
93
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES

On the multiple-minima problem in the co
On the multiple-minima problem in the conformational analysis of polypeptides. IV. Application of the electrostatically driven monte carlo method to the 20-residue membrane-bound portion of melittin
โœ Daniel R. Ripoll; Harold A. Scheraca ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 968 KB

T h e conformational space of the membrane-bound portion of melittin has been searched using the electrostatically driven Monte Carlo ( E D M C ) method with the E C E P P / 2 (empirical conformational energy program for peptides ) algorithm. The former methodology assumes that a polypeptide or prot

On the multiple-minima problem in the co
On the multiple-minima problem in the conformational analysis of polypeptides. V. Application of the self-consistent electrostatic field and the electrostatically driven monte carlo methods to bovine pancreatic trypsin inhibitor
โœ Daniel R. Ripoll; Lucjan Piela; Max Vรกasquez; Harold A. Scheraga ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 944 KB

## Abstract In connection with the accompanying paper to test various models for the hydration of polypeptides, we have explored a limited portion of the conformational energy hyperspace of the small protein bovine pancreatic trypsin inhibitor (BPTI) with the aid of two search methods developed in