Journal
NUCLEIC ACIDS RESEARCH
Volume 32, Issue -, Pages W96-W99Publisher
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkh354
Keywords
-
Categories
Funding
- NIEHS NIH HHS [P42 ES007381] Funding Source: Medline
- NIGMS NIH HHS [R01 GM061867] Funding Source: Medline
Ask authors/readers for more resources
ClusPro (http://nrc.bu.edu/cluster) represents the first fully automated, web-based program for the computational docking of protein structures. Users may upload the coordinate files of two protein structures through ClusPro's web interface, or enter the PDB codes of the respective structures, which ClusPro will then download from the PDB server (http://www.rcsb.org/pdb/). The docking algorithms evaluate billions of putative complexes, retaining a preset number with favorable surface complementarities. A filtering method is then applied to this set of structures, selecting those with good electrostatic and desolvation free energies for further clustering. The program output is a short list of putative complexes ranked according to their clustering properties, which is automatically sent back to the user via email.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available