𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Refinement of the thrombin-bound structure of a hirudin peptide by a restrained electrostatically driven Monte Carlo method

✍ 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

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


New developments of the electrostaticall
✍ Daniel R. Ripoll; Adam Liwo; Harold A. Scheraga πŸ“‚ Article πŸ“… 1998 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 225 KB

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

The Electrostatically Driven Monte Carlo
✍ Daniel R. Ripoll; Max J. VΓ‘squez; Harold A. Scheraga πŸ“‚ Article πŸ“… 1991 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 902 KB

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

Implementation of the ECEPP algorithm, t
✍ D. R. Ripoll; M. S. Pottle; K. D. Gibson; H. A. Scheraga; A. Liwo πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 926 KB

## 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

On the multiple-minima problem in the co
✍ Daniel R. Ripoll; Harold A. Scheraca πŸ“‚ Article πŸ“… 1990 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 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

A pH-dependent variation in Ξ±-helix stru
✍ Takashi Nakazawa; Sumiko Ban; Yuka Okuda; Masato Masuya; Ayori Mitsutake; Yuko O πŸ“‚ Article πŸ“… 2002 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 386 KB πŸ‘ 1 views

## Abstract Low‐energy conformations of the S‐peptide fragment (20 amino acid residues long) of ribonuclease A were studied by Monte Carlo simulated annealing. The obtained lowest‐energy structures have α‐helices with different size and location, depending distinctively on the ionizing states of ac