Structure of Proteins : New Approach to Molecular Modeling

• Autorzy: Koliński A. , Rotkiewicz P. , Skolnick J.
• Języki publikacji: EN

Abstrakty

EN

The force field and Monte Carlo sampling method of our recently developed reduced model of proteins is described. Recent applications of the models include ab initio structure prediction for small globular proteins, modeling of protein structure based on distantly homologous (or analogous) structural templates, assembly of protein structure from sparse experimental data, and computational studies of protein folding dynamics and thermodynamics. The newest application, described in this paper, enables the prediction of low-to-moderate resolution coordinates of the parts of protein structure that are missed in incomplete PDB files.

Słowa kluczowe

EN

protein folding; lattice protein models; comparative modeling; loop modeling; Monte Carlo simulation; protein structure prediction

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2001
• Tom: Vol. 75, nr 4
• Strony: 587--599
• Opis fizyczny: Bibliogr. 42 poz., rys.

Twórcy

autor

Koliński A.

• Faculty of Chemistry, Warsaw University, ul. Pasteura 1, 02-923 Warsaw, Poland

autor

Rotkiewicz P.

• Faculty of Chemistry, Warsaw University, ul. Pasteura 1, 02-923 Warsaw, Poland

autor

Skolnick J.

• Laboratory of Computational Genomics, Donałd Danforth Plant Science Centa; Saint Louis, Missouri, USA

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