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ABSTRACT:
SUBMITTER: Sarkar S
PROVIDER: S-EPMC3966485 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Sarkar Subhra S Witham Shawn S Zhang Jie J Zhenirovskyy Maxim M Rocchia Walter W Alexov Emil E
Communications in computational physics 20130101 1
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 Char ...[more]