The electrostatically driven Monte Carlo (EDMC) method has been greatly improved by adding a series of new features, including a procedure for cluster analysis of the accepted conformations. This information is used to guide the search for the global energy minimum. Alternative procedures for genera
Refinement of the thrombin-bound structure of a hirudin peptide by a restrained electrostatically driven Monte Carlo method
β Scribed by Daniel R. Ripoll; Feng Ni
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1992
- Tongue
- English
- Weight
- 457 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0006-3525
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The Electrostatically Driven Monte Carlo (EDMC)method was applied in a study of a decamer of glycine whose conformational behavior is described by the Empirical Conformational Energy Program for Peptides (ECEPPIB) potential energy model. When free neutral end groups were used, it was found that conf
## Abstract In this article the adaptation of the Empirical Conformational Energy Program 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 com
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