Literature DB >> 29036596

DelPhiForce web server: electrostatic forces and energy calculations and visualization.

Lin Li1, Zhe Jia1, Yunhui Peng1, Arghya Chakravorty1, Lexuan Sun1, Emil Alexov1.   

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: delphi@clemson.edu. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
© The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

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Year:  2017        PMID: 29036596      PMCID: PMC5870670          DOI: 10.1093/bioinformatics/btx495

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


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