Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
IMPLEMENTATION OF THE ECEPP ALGORITHM, THE MONTE-CARLO MINIMIZATION METHOD, AND THE ELECTROSTATICALLY DRIVEN MONTE-CARLO METHOD ON THE KENDALL SQUARE RESEARCH KSR1 COMPUTER
Autore:
RIPOLL DR; POTTLE MS; GIBSON KD; SCHERAGA HA; LIWO A;
Indirizzi:
CORNELL UNIV,BAKER LAB CHEM ITHACA NY 14853 CORNELL UNIV,BAKER LAB CHEM ITHACA NY 14853 CORNELL UNIV,CORNELL THEORY CTR ITHACA NY 14853 SUNY HLTH SCI CTR,DEPT PATHOL,DIV CLIN PATHOL SYRACUSE NY 13210
Titolo Testata:
Journal of computational chemistry
fascicolo: 9, volume: 16, anno: 1995,
pagine: 1153 - 1163
SICI:
0192-8651(1995)16:9<1153:IOTEAT>2.0.ZU;2-#
Fonte:
ISI
Lingua:
ENG
Soggetto:
MULTIPLE-MINIMA PROBLEM; HYDROGEN-BOND INTERACTIONS; OCCURRING AMINO-ACIDS; CONFORMATIONAL-ANALYSIS; NONBONDED INTERACTIONS; ENERGY PARAMETERS; GEOMETRICAL PARAMETERS; MOLECULAR-DYNAMICS; POLYPEPTIDES; POTENTIALS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
23
Recensione:
Indirizzi per estratti:
Citazione:
D.R. Ripoll et al., "IMPLEMENTATION OF THE ECEPP ALGORITHM, THE MONTE-CARLO MINIMIZATION METHOD, AND THE ELECTROSTATICALLY DRIVEN MONTE-CARLO METHOD ON THE KENDALL SQUARE RESEARCH KSR1 COMPUTER", Journal of computational chemistry, 16(9), 1995, pp. 1153-1163

Abstract

In this article the adaptation of the Empirical Conformational EnergyProgram for Peptides (ECEPP/3) and two conformational search methods [viz., the Monte Carlo minimization (MCM) method and the electrostatically driven Monte Carlo (EDMC) method] to the Kendall Square Research KSR1 computer is described. The MCM and EDMC methods were developed tosurmount the multiple-minima problem in protein folding. Parallelization of these codes led to substantial speedups (expressed as the ratiobetween the mean time per energy evaluation in one processor and the mean time per energy evaluation in a set of processors) over the serial versions of these codes. A comparison of the performance of these algorithms on the KSR1 and on the IBM ES9000 computers is presented. (C)1995 by John Wiley & Sons, Inc.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 02/07/20 alle ore 22:20:10