TY - JOUR
T1 - DelPhi Web Server: A Comprehensive Online Suite for Electrostatic Calculations of Biological Macromolecules and Their Complexes
AU - Subhra Sarkar, Shawn Witham, Jie Zhang, Maxim Zhenirovskyy, Walter Rocchia & Emil Alexov
JO - Communications in Computational Physics
VL - 1
SP - 269
EP - 284
PY - 2013
DA - 2013/01
SN - 13
DO - http://doi.org/10.4208/cicp.300611.201011s
UR - https://global-sci.org/intro/article_detail/cicp/7223.html
KW - 
AB - <p style="text-align: justify;">Here we report a web server, the DelPhi web server, which utilizes DelPhi
program to calculate electrostatic energies and the corresponding electrostatic potential and ionic distributions, and dielectric map. The server provides extra services
to fix structural defects, as missing atoms in the structural file and allows for generation of missing hydrogen atoms. The hydrogen placement and the corresponding
DelPhi calculations can be done with user selected force field parameters being either Charmm22, Amber98 or OPLS. Upon completion of the calculations, the user is
given option to download fixed and protonated structural file, together with the parameter and Delphi output files for further analysis. Utilizing Jmol viewer, the user
can see the corresponding structural file, to manipulate it and to change the presentation. In addition, if the potential map is requested to be calculated, the potential
can be mapped onto the molecule surface. The DelPhi web server is available from
http://compbio.clemson.edu/delphi webserver.</p>