Analysis of fragments induced by simulated lattice protein folding
โ Scribed by Jacques Chomilier; Marc Lamarine; Jean-Paul Mornon; Jorge Hernandez Torres; Elias Eliopoulos; Nikolaos Papandreou
- Book ID
- 116391396
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- French
- Weight
- 307 KB
- Volume
- 327
- Category
- Article
- ISSN
- 1631-0691
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## Abstract Monte Carlo (MC) methods play an important role in simulations of protein folding. These methods rely on a random sampling of moves on a potential energy surface. To improve the efficiency of the sampling, we propose a new selection of trial moves based on an empirical distribution of t
We propose a coarse-grained model of proteins that take into account solvent effects and apply it for simulating folding of a three-helixbundle protein. The energy functional form, refined from our previous work (Takada et al., J Chem Phys 1999;110:11616 -11629), tries to closely imitate real physic