SCit: web tools for protein side chain conformation analysis
نویسندگان
چکیده
منابع مشابه
SCit: web tools for protein side chain conformation analysis
SCit is a web server providing services for protein side chain conformation analysis and side chain positioning. Specific services use the dependence of the side chain conformations on the local backbone conformation, which is described using a structural alphabet that describes the conformation of fragments of four-residue length in a limited library of structural prototypes. Based on this con...
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We have developed a rapid and completely automatic method for prediction of protein side-chain conformation, applying the simulated annealing algorithm to optimization of side-chain packing (van der Waals) interactions. The method directly attacks the combinatorial problem of simultaneously predicting many residues' conformation, solving in 8 to 12 hours problems for which the systematic search...
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Thermal factors of protein atoms as determined by X-ray crystallographic techniques show a tendency to be larger in side chains with unfavourable local conformations rather than in those displaying conformational energy minima. It follows that side chain atoms are more mobile if they are in a non-rotameric configuration and that the stereochemistry of protein structures cannot be fully assessed...
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15 صفحه اولResidue-rotamer-reduction algorithm for the protein side-chain conformation problem
MOTIVATION The protein side-chain conformation problem is a central problem in proteomics with wide applications in protein structure prediction and design. Computational complexity results show that the problem is hard to solve. Yet, instances from realistic applications are large and demand fast and reliable algorithms. RESULTS We propose a new global optimization algorithm, which for the f...
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ژورنال
عنوان ژورنال: Nucleic Acids Research
سال: 2004
ISSN: 0305-1048,1362-4962
DOI: 10.1093/nar/gkh388