An evolutionary search framework to efficiently sample local minima in the protein conformational space

Protein Modeling conceptualizes the protein energy landscape as a funnel with the native structure at the low-energy minimum. Current protein structure prediction algorithms seek the global minimum by searching for low-energy conformations in the hope ...

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 ...

Ab-initio structure prediction refers to the problem of using only knowledge of the sequence of amino acids in a protein molecule to find spatial arrangements, or conformations, of the amino-acid chain capturing the protein in its biologically-active or ...