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1 2001

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Structure of Proteins : New Approach to Molecular Modeling

Koliński A., Rotkiewicz P., Skolnick J.

Polish Journal of Chemistry

2001

Vol. 75, nr 4

587-599

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.