The FoldX web server: an online force field.
The FoldX web server: an online force field.
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DOI：
10.1093/nar/gki387
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发表时间：
2005-07-01
影响因子：
14.9
通讯作者：
Serrano L
中科院分区：
文献类型：
--
作者：
Schymkowitz J;Borg J;Stricher F;Nys R;Rousseau F;Serrano L
FoldX是一个经验力场，它是为了快速评估突变对蛋白质和核酸的稳定性、折叠和动力学的影响而开发的。FoldX的核心功能，即基于其高分辨率3D结构计算大分子的自由能，现在可通过Web服务器公开获得，网址为。目前的版本允许计算蛋白质的稳定性，计算质子的位置和预测水桥，预测金属结合位置和分析络合物形成的自由能。丙氨酸扫描，即系统地截断侧链为丙氨酸，也包括在内。此外，还增加了一些报告功能，现在可以打印组成蛋白质的原子相互作用网络，打印每个原子或每个残基相互作用的结构和能量细节，以及生成PDB结构的一般质量报告。随着更多FoldX应用程序的开发，这一核心功能将进一步扩展。
FoldX is an empirical force field that was developed for the rapid evaluation of the effect of mutations on the stability, folding and dynamics of proteins and nucleic acids. The core functionality of FoldX, namely the calculation of the free energy of a macromolecule based on its high-resolution 3D structure, is now publicly available through a web server at . The current release allows the calculation of the stability of a protein, calculation of the positions of the protons and the prediction of water bridges, prediction of metal binding sites and the analysis of the free energy of complex formation. Alanine scanning, the systematic truncation of side chains to alanine, is also included. In addition, some reporting functions have been added, and it is now possible to print both the atomic interaction networks that constitute the protein, print the structural and energetic details of the interactions per atom or per residue, as well as generate a general quality report of the pdb structure. This core functionality will be further extended as more FoldX applications are developed.
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影响因子：
5.6
作者：
Guerois, R;Nielsen, JE;Serrano, L
通讯作者：
Serrano, L
影响因子：
3.4
作者：
Lindorff-Larsen, K;Paci, E;Vendruscolo, M
通讯作者：
Vendruscolo, M
影响因子：
5.6
作者：
LEE, B;RICHARDS, FM
通讯作者：
RICHARDS, FM
DOI：
10.1016/0263-7855(90)80070-v
发表时间：
1990-03-01
期刊：
JOURNAL OF MOLECULAR GRAPHICS
影响因子：
--
作者：
VRIEND, G
通讯作者：
VRIEND, G
影响因子：
2.1
作者：
STOUTEN, PFW;FROMMEL, C;SANDER, C
通讯作者：
SANDER, C