
TABI
 Referenced in 32 articles
[sw18194]
 solver is applied to compute the electrostatic solvation energy in two cases, the Kirkwood sphere...

PBEQSolver
 Referenced in 15 articles
[sw17203]
 PBEQSolver calculates (i) electrostatic potential and solvation free energy ... protein–protein (DNA or RNA) electrostatic interaction energy and (iii) pKa of a selected titratable ... users. Users can interactively inspect the calculated electrostatic potential on the solventaccessible surface...

DelPhi Web Server
 Referenced in 8 articles
[sw17209]
 which utilizes DelPhi program to calculate electrostatic energies and the corresponding electrostatic potential and ionic...

APBS
 Referenced in 95 articles
[sw05766]
 molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas ... molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligandprotein and protein...

MMM2D
 Referenced in 4 articles
[sw18357]
 method to accurately calculate the electrostatic energy and forces on charges being distributed...

MIBPB
 Referenced in 58 articles
[sw08106]
 software package, the MIBPB solver, for electrostatic analysis. The MIBPB has a unique feature that ... package are tested by protein–solvent solvation energy calculations and analysis of salt effects...

DelPhi
 Referenced in 8 articles
[sw42005]
 resources. Background: Accurate modeling of electrostatic potential and corresponding energies becomes increasingly important for understanding...

MMM1D
 Referenced in 2 articles
[sw18358]
 method to accurately calculate the electrostatic energy and forces on charges in a system with...

PAFMPB
 Referenced in 6 articles
[sw16770]
 total solvationfree energy, including the PB electrostatic and nonpolar interaction contributions. PAFMPB is implemented...

DelPhiForce
 Referenced in 2 articles
[sw34189]
 DelPhiForce web server: electrostatic forces and energy calculations and visualization. Summary: Electrostatic force...

PhysNet
 Referenced in 2 articles
[sw40931]
 PhysNet, a DNN architecture designed for predicting energies, forces and dipole moments of chemical systems ... shown that explicitly including electrostatics in energy predictions is crucial for a qualitatively correct description...

TINKER
 Referenced in 11 articles
[sw04095]
 flexible implementation of atomic multipolebased electrostatics with explicit dipole polarizability, various continuum solvation treatments ... areas and volumes with derivatives, simple free energy perturbation facility, normal mode analysis, minimization ... dynamics, pairwise neighbor lists and splined spherical energy cutoff methods, particle mesh Ewald (PME) summation ... novel reaction field treatment of long range electrostatics, fast distance geometry metrization with better sampling...

elsepa
 Referenced in 1 article
[sw35736]
 potential set equal to the electrostatic interaction energy between the projectile and the target, plus...

Aria
 Referenced in 7 articles
[sw09026]
 equations, energy transport equation, species transport equations, nonlinear elastic solid mechanics, and electrostatics as well...

PyGBe
 Referenced in 5 articles
[sw17642]
 molecularelectrostatics calculations in a continuum model. It computes solvation energies for proteins modeled with...

PICMCC
 Referenced in 7 articles
[sw03085]
 conditions under which electrons may reach energies in the runaway regime. This is the first ... model with realistic spatial dependencies of the electrostatic field. It is shown that...

LSVISM
 Referenced in 3 articles
[sw16158]
 obtained by minimizing the VISM solvation freeenergy functional among all possible solute–solvent interfaces ... review the VISM with various descriptions of electrostatics. We also review our numerical methods that ... method for relaxing the VISM freeenergy functional and a compact coupling interface method...

COILCHECK
 Referenced in 1 article
[sw30036]
 measured using standard energy calculations involving nonbonded and electrostatic interactions and for the presence ... entries that contain coiled coils. Such an energy measure is quite useful for assessing...

DensToolKit
 Referenced in 0 articles
[sw20061]
 detector (LED), information entropy, molecular electrostatic potential, kinetic energy densities KK and GG, among others...

ToSCA
 Referenced in 6 articles
[sw04242]
 energy model is one of the phenomenological models which allow the simulation of carrier transport ... system of partial differential equations for the electrostatic potential and for the densities of electrons ... parameter. An electric current, however, transforms electric energy into heat. In many applications the amount...