Published in Proteins Structure Function and Bioinformatics
Prediction of protein structures continues to be a difficult problem, particularly when there are no solved structures for homologous proteins to use as templates. Local structure prediction (secondary structure and burial) is fairly reliable, but does not provide enough information to produce complete three-dimensional structures. Residue-residue ...
Published in Proteins
Given a set of alternative models for a specific protein sequence, the model quality assessment (MQA) problem asks for an assignment of scores to each model in the set. A good MQA program assigns these scores such that they correlate well with real quality of the models, ideally scoring best that model which is closest to the true structure. In thi...
Published in Proteins Structure Function and Bioinformatics
We discuss how methods based on hidden Markov models performed in the fold-recognition section of the CASP2 experiment. Hidden Markov models were built for a representative set of just over 1,000 structures from the Protein Data Bank (PDB). Each CASP2 target sequence was scored against this library of HMMs. In addition, an HMM was built for each of...
Published in Proteins Structure Function and Bioinformatics
Prediction of protein structures continues to be a difficult problem, particularly when there are no solved structures for homologous proteins to use as templates. Local structure prediction (secondary structure and burial) is fairly reliable, but does not provide enough information to produce complete three-dimensional structures. Residue-residue ...
Published in Proteins Structure Function and Bioinformatics
Pairwise contact potentials have a long, successful history in protein structure prediction. They provide an easily-estimated representation of many attributes of protein structures, such as the hydrophobic effect. In order to improve on existing potentials, one should develop a clear understanding of precisely what information they convey. Here, u...
Published in Proteins Structure Function and Bioinformatics
Pairwise contact potentials have a long, successful history in protein structure prediction. They provide an easily-estimated representation of many attributes of protein structures, such as the hydrophobic effect. In order to improve on existing potentials, one should develop a clear understanding of precisely what information they convey. Here, u...
Published in Proteins
A correct alignment is an essential requirement in homology modeling. Yet in order to bridge the structural gap between template and target, which may not only involve loop rearrangements, but also shifts of secondary structure elements and repacking of core residues, high-resolution refinement methods with full atomic details are needed. Here, we ...
Published in Proteins Structure Function and Bioinformatics
This article presents an overview of the SAM-T02 method for protein fold recognition and the UNDERTAKER program for ab initio predictions. The SAM-T02 server is an automatic method that uses two-track hidden Markov models (HMMS) to find and align template proteins from PDB to the target protein. The two-track HMMs use an amino acid alphabet and one...
Published in Proteins Structure Function and Bioinformatics
Undertaker is a program designed to help predict protein structure using alignments to proteins of known structure and fragment assembly. The program generates conformations and uses cost functions to select the best structures from among the generated conformations. This paper describes the use of Undertaker s cost functions for model quality asse...
Published in Proteins Structure Function and Bioinformatics
Pairwise contact potentials have a long, successful history in protein structure prediction. They provide an easily-estimated representation of many attributes of protein structures, such as the hydrophobic effect. In order to improve on existing potentials, one should develop a clear understanding of precisely what information they convey. Here, u...
