Champ P Christoph, Camacho Carlos J
Department of Computational Biology, University of Pittsburgh, Pittsburgh, PA, USA.
Nucleic Acids Res. 2007 Jul;35(Web Server issue):W556-60. doi: 10.1093/nar/gkm326. Epub 2007 May 30.
'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.
“快速接触”是一个服务器，它以千卡/摩尔为单位估算两种蛋白质之间的直接静电和去溶剂化相互作用自由能。用户以PDB格式提交两种蛋白质，输出结果会通过电子邮件以三个文件的形式返回给用户：一个输出文件以及两种经过处理的蛋白质。除了静电和去溶剂化自由能外，该服务器还会报告残基接触自由能，这些自由能能快速突出相互作用的热点，并使用CHARMm评估范德华相互作用。响应时间约为1分钟。该服务器已成功经过测试和验证，对精制的复杂结构和对接诱饵的盲集进行评分，并且在预测蛋白质相互作用方面也已证明很有用。“快速接触”提供了从生物物理见解到评分和识别重要接触的独特功能。
