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- Title
DelPhiForce web server: electrostatic forces and energy calculations and visualization.
- Authors
Lin Li; Zhe Jia; Yunhui Peng; Chakravorty, Arghya; Lexuan Sun; Alexov, Emil
- 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.
- Subjects
CHARGE-charge interactions; ELECTROSTATICS; ARTIFICIAL intelligence; MACHINE learning; VISUALIZATION; NUCLEOTIDE sequencing
- Publication
Bioinformatics, 2017, Vol 33, Issue 22, p3661
- ISSN
1367-4803
- Publication type
Article
- DOI
10.1093/bioinformatics/btx495