Electrostatic Potential Calculations

Electrostatic Potential Calculations is a computational method in biophysical chemistry that determines the distribution of electric potential around biomolecules in solution by solving the Poisson-Boltzmann equation or related models to quantify the influence of charge distributions on molecular interactions.

2.1K

Publications

212.2K

Citations

5.4K

Authors

1.6K

Institutions

Publications per year

2017–2026

438

Parents

Electrostatic Interactions In Biomolecules

Publications

2.1K

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

Natural Sciences, Chemistry, Physics +13

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell et al. · The Journal of Physical Chemistry · 1993 · 8.1K citations

Natural Sciences, Chemistry, Physics +11

Electrostatics of nanosystems: Application to microtubules and the ribosome

Nathan Baker, David Sept, Simpson Joseph et al. · Proceedings of the National Academy of Sciences · 2001 · 7.3K citations · Full text

Natural Sciences, Biophysics, Molecular Biology +16

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

T. J. Dolinsky, Jens Erik Nielsen, J. Andrew McCammon et al. · Nucleic Acids Research · 2004 · 3.6K citations · Full text

Natural Sciences, Biophysics, Chemistry +17

1–5 of 2.1K

Authors

5.4K

PP
Peter Politzer
University of New Orleans, United States
54 publications · 7.7K citations
34
h-index
JS
Jane S. Murray
University of New Orleans, United States
42 publications · 6.8K citations
31
h-index
SR
Shridhar R. Gadre
Savitribai Phule Pune University, India
40 publications · 2.4K citations
27
h-index
CH
Cherumuttathu H. Suresh
National Institute for Interdisciplinary Science and Technology, India
30 publications · 2K citations
24
h-index
JA
J. Andrew McCammon
University of California San Diego, United States
25 publications · 12.9K citations
22
h-index

1–5 of 5.4K

Institutions

1.6K

1–8 of 1.6K

Venues

Journal of Computational Chemistry
162 publications · 25.4K citations
66
h-index
The Journal of Chemical Physics
200 publications · 56.5K citations
61
h-index
Journal of Chemical Theory and Computation
JCTC · 96 publications · 7.8K citations
47
h-index
The Journal of Physical Chemistry A
91 publications · 5.2K citations
42
h-index
Journal of the American Chemical Society
JACS · 38 publications · 2.8K citations
33
h-index

1–5