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Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure Prediction
Found in: IEEE/ACM Transactions on Computational Biology and Bioinformatics
By Kevin Molloy,Sameh Saleh,Amarda Shehu
Issue Date:September 2013
pp. 1162-1175
Adequate sampling of the conformational space is a central challenge in ab initio protein structure prediction. In the absence of a template structure, a conformational search procedure guided by an energy function explores the conformational space, gather...
 
A population-based evolutionary algorithm for sampling minima in the protein energy surface
Found in: 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW)
By Sameh Saleh,Brian Olson,Amarda Shehu
Issue Date:October 2012
pp. 64-71
Obtaining a structural characterization of the biologically active (native) state of a protein is a long standing problem in computational biology. The high dimensionality of the conformational space and ruggedness of the associated energy surface are key ...
 
An evolutionary framework to sample near-native protein conformations
Found in: 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW)
By Sameh Saleh,Brian Olson,Amarda Shehu
Issue Date:October 2012
pp. 933
Structural characterization of the protein native state is an important problem in computational biology. Thermodynamically, the native state is that of lowest free energy in the protein conformational space [1]. Predicting it ab initio from the amino-acid...
 
Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure Prediction
Found in: IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)
By Amarda Shehu, Kevin Molloy, Sameh Saleh
Issue Date:September 2013
pp. 1162-1175
Adequate sampling of the conformational space is a central challenge in ab initio protein structure prediction. In the absence of a template structure, a conformational search procedure guided by an energy function explores the conformational space, gather...
     
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