NMR-Based Protein Potentials
✍ Scribed by Dr. Da-Wei Li; Prof. Rafael Brüschweiler
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 381 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
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
A method is presented for the derivation of knowledge-based pair potentials that corrects for the various compositions of different proteins. The resulting statistical pair potential is more specific than that derived from previous approaches as assessed by gapless threading results. Additionally, a
Acyl carrier proteins (ACPs) from spinach and from Escherichia coli have been used to demonstrate the utility of proton NMR for comparison of homologous structures. The structure of E. coli ACP had been previously determined and modeled as a rapid equilibrium among multiple conformational forms (Kim