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pubmed-article:16166519pubmed:abstractTextThe prediction of protein structure from amino acid sequence is a grand challenge of computational molecular biology. By using a combination of improved low- and high-resolution conformational sampling methods, improved atomically detailed potential functions that capture the jigsaw puzzle-like packing of protein cores, and high-performance computing, high-resolution structure prediction (<1.5 angstroms) can be achieved for small protein domains (<85 residues). The primary bottleneck to consistent high-resolution prediction appears to be conformational sampling.lld:pubmed
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pubmed-article:16166519pubmed:articleTitleToward high-resolution de novo structure prediction for small proteins.lld:pubmed
pubmed-article:16166519pubmed:affiliationUniversity of Washington, Department of Biochemistry, and Howard Hughes Medical Institute, Box 357350, Seattle, WA 98195, USA.lld:pubmed
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