Background: Many crucial cellular operations such as metabolism, signalling, and regulations are based on protein-protein interactions. However, the lack of robust protein-protein...
The 3D conformation of a protein may be compactly represented in a symmetrical, square, boolean matrix of pairwise, inter-residue contacts, or "contact map". The contact...
Jingjing Hu, Xiaolan Shen, Yu Shao, Chris Bystroff...
As the first step toward a multi-scale, hierarchical computational approach for membrane protein structure prediction, the packing of transmembrane helices was modeled at the resi...
Background: One of the most challenging aspects of protein-protein docking is the inclusion of flexibility into the docking procedure. We developed a postfilter where the grid-rep...
Background: It is well known that most of the binding free energy of protein interaction is contributed by a few key hot spot residues. These residues are crucial for understandin...