We discuss the derivation of atomic-level potentials of mean force from the known protein structures and their applicability for structural evaluation applications. In the derivation process, rigorous density estimation methodology is used to estimate the probability density functions (PDFs) for the
Interaction potentials for protein folding
β Scribed by Flavio Seno; Amos Maritan; Jayanth R. Banavar
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 56 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0887-3585
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β¦ Synopsis
We outline a general strategy for determining the effective coarse-grained interactions between the amino acids of a protein from the experimentally derived nativestate structures. The method is, in principle, free from any adjustable or empirically determined parameters, and it is tested on simple models and compared with other existing approaches. Proteins 30:244-248, 1998.
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