This paper proposes the Protein Ensemble Method (PEM) to model equilibrium fluctuations in proteins where fragments of the protein polypeptide chain can move independently of one ...
Protein loop structure modeling is regarded as a mini protein folding problem with significant scientific importance. Efficiently sampling the loop conformation space is a key step...
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Background: Many structural properties such as solvent accessibility, dihedral angles and helix-helix contacts can be assigned to each residue in a membrane protein. Independent s...
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...