## Abstract The Biomolecular Ligand Energy Evaluation Protocol (BLEEP) is a knowledge‐based potential derived from high‐resolution X‐ray structures of protein–ligand complexes. The performance of this potential in ranking the hypothetical structures resulting from a docking study has been evaluated
Evaluation of a mean field potential for protein folding with different interaction centers
✍ Scribed by María Larriva; David de Sancho; Antonio Rey
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 938 KB
- Volume
- 371
- Category
- Article
- ISSN
- 0378-4371
No coin nor oath required. For personal study only.
✦ Synopsis
We use Monte Carlo simulations to analyze the behavior of a family of previously reported, statistically derived, mean field potentials for protein folding (the DFIRE potentials from the Zhou laboratory). The potentials may consider different interaction centers (alpha carbons, beta carbons, or side-chain centroids), depending on the details of the coarsegrained model simulated. The type of association of the helices in different simulated coiled-coil proteins provides interesting information on the real capabilities of these interaction schemes along the sampling of the topological space available to the protein model.
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