DelPhiForce 网页服务器：静电作用力和能量计算及可视化。
DelPhiForce web server: electrostatic forces and energy calculations and visualization.
机构信息
Department of Physics, Clemson University, Clemson, SC 29631, USA.
出版信息
Bioinformatics. 2017 Nov 15;33(22):3661-3663. doi: 10.1093/bioinformatics/btx495.
Abstract
SUMMARY
Electrostatic force is an essential component of the total force acting between atoms and macromolecules. Therefore, accurate calculations of electrostatic forces are crucial for revealing the mechanisms of many biological processes. We developed a DelPhiForce web server to calculate and visualize the electrostatic forces at molecular level. DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, domains and molecules, and generates an output that can be visualized by VMD software. Here we demonstrate the usage of the server for various biological problems including protein-cofactor, domain-domain, protein-protein, protein-DNA and protein-RNA interactions.
AVAILABILITY AND IMPLEMENTATION
The DelPhiForce web server is available at: http://compbio.clemson.edu/delphi-force.
CONTACT
SUPPLEMENTARY INFORMATION
Supplementary data are available at Bioinformatics online.
摘要
摘要
静电作用力是原子和大分子之间相互作用的总作用力的重要组成部分。因此，准确计算静电作用力对于揭示许多生物过程的机制至关重要。我们开发了一个名为 DelPhiForce 的网络服务器，用于计算和可视化分子水平的静电作用力。DelPhiForce 网络服务器能够对单个原子、残基、结构域和分子上的静电作用力进行建模，并生成可通过 VMD 软件进行可视化的输出。在这里，我们展示了该服务器在各种生物学问题中的应用，包括蛋白质辅因子、结构域-结构域、蛋白质-蛋白质、蛋白质-DNA 和蛋白质-RNA 相互作用。
可用性和实现
DelPhiForce 网络服务器可在以下网址获得：http://compbio.clemson.edu/delphi-force。
联系方式
补充信息
补充数据可在“Bioinformatics”在线获取。
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