FastContact: a free energy scoring tool for protein-protein complex structures.
'FastContact' is a server that estimates the direct electrostatic and desolvation interaction free energy between two proteins in units of kcal/mol. Users submit two proteins in PDB format, and the output is emailed back to the user in three files: one output file, and the two processed proteins. Besides the electrostatic and desolvation free energy, the server reports residue contact free energies that rapidly highlight the hotspots of the interaction and evaluates the van der Waals interaction using CHARMm. Response time is approximately 1 min. The server has been successfully tested and validated, scoring refined complex structures and blind sets of docking decoys, as well as proven useful predicting protein interactions. 'FastContact' offers unique capabilities from biophysical insights to scoring and identifying important contacts.
Champ
P Christoph
PC
Department of Computational Biology, University of Pittsburgh, Pittsburgh, PA, USA.
Camacho
Carlos J
CJ
D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry*; D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D003198:Computer Simulation; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping / Q000379:methods*; D011506:Proteins / Q000032:analysis / Q000737:chemistry*; D020539:Sequence Analysis, Protein / Q000379:methods*; D012984:Software; D013816:Thermodynamics
D000596:Amino Acids; D011506:Proteins