FastContact: a free energy scoring tool for protein-protein complex structures

被引：32
作者：
Champ, P. Christoph [1 ]
Camacho, Carlos J. [1 ]
机构：
[1] Univ Pittsburgh, Dept Computat Biol, Pittsburgh, PA 15260 USA
来源：
NUCLEIC ACIDS RESEARCH | 2007年 / 35卷
基金：
美国国家科学基金会;
关键词：
D O I：
10.1093/nar/gkm326
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
'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 similar to 1min. 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.
引用
收藏
页码：W556 / W560
页数：5
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