PredyFlexy: flexibility and local structure prediction from sequence

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چکیده

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PredyFlexy: flexibility and local structure prediction from sequence

Protein structures are necessary for understanding protein function at a molecular level. Dynamics and flexibility of protein structures are also key elements of protein function. So, we have proposed to look at protein flexibility using novel methods: (i) using a structural alphabet and (ii) combining classical X-ray B-factor data and molecular dynamics simulations. First, we established a lib...

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Local Structure Prediction with Local Structure-based Sequence Profiles

MOTIVATION A large body of experimental and theoretical evidence suggests that local structural determinants are frequently encoded in short segments of protein sequence. Although the local structural information, once recognized, is particularly useful in protein structural and functional analyses, it remains a difficult problem to identify embedded local structural codes based solely on seque...

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Protein flexibility and rigidity predicted from sequence.

Structural flexibility has been associated with various biological processes such as molecular recognition and catalytic activity. In silico studies of protein flexibility have attempted to characterize and predict flexible regions based on simple principles. B-values derived from experimental data are widely used to measure residue flexibility. Here, we present the most comprehensive large-sca...

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Prediction of local structure in proteins using a library of sequence-structure motifs.

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ژورنال

عنوان ژورنال: Nucleic Acids Research

سال: 2012

ISSN: 0305-1048,1362-4962

DOI: 10.1093/nar/gks482