LMProt: An Efficient Algorithm for Monte Carlo Sampling of Protein Conformational Space
✍ Scribed by Alves da Silva, Roosevelt; Degrève, Léo; Caliri, Antonio
- Book ID
- 119988922
- Publisher
- Biophysical Society
- Year
- 2004
- Tongue
- English
- Weight
- 249 KB
- Volume
- 87
- Category
- Article
- ISSN
- 0006-3495
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## Abstract A Monte Carlo sampling algorithm for searching a scale‐transformed conformational energy space of polypeptides is presented. This algorithm is based on the assumption that energy barriers can be overcome by a uniform sampling of the logarithmically transformed energy space. This algorit
A hybrid conformational search algorithm (DMC) is described that combines a modified form of molecular dynamics with Metropolis Monte Carlo sampling, using the COSMIC(9O) force field. Trial configurations are generated by short bursts of high-temperature dynamics in which the initial kinetic energy