
PBEQSolver
 Referenced in 13 articles
[sw17203]
 PBEQSolver for online visualization of electrostatic potential of biomolecules. PBEQSolver provides ... equations and interactively visualize the electrostatic potential. PBEQSolver calculates (i) electrostatic potential and solvation ... Users can interactively inspect the calculated electrostatic potential on the solventaccessible surface as well ... electrostatic potential contours using a novel online visualization tool based on MarvinSpace molecular visualization software...

TABI
 Referenced in 19 articles
[sw18194]
 conditioned boundary integral formulation for the electrostatic potential and its normal derivative on the molecular ... TABI solver is applied to compute the electrostatic solvation energy in two cases, the Kirkwood...

DelPhi Web Server
 Referenced in 7 articles
[sw17209]
 calculate electrostatic energies and the corresponding electrostatic potential and ionic distributions, and dielectric...

MOLDEN
 Referenced in 4 articles
[sw20678]
 display the true or Multipole Derived Electrostatic Potential and atomic charges can be fitted ... Electrostatic Potential calculated on a Connolly surface. Molden also features an stand alone forcefield program...

ToSCA
 Referenced in 6 articles
[sw04242]
 partial differential equations for the electrostatic potential and for the densities of electrons and holes...

TexMol
 Referenced in 5 articles
[sw13086]
 dynamically computed physical properties data (e.g. electrostatics potential) to be mapped onto the molecular surface...

Apbsmem
 Referenced in 4 articles
[sw22298]
 binding. A popular method for computing the electrostatic properties of biological systems is to numerically ... protein, and set the membrane potential. The software Jmol is embedded ... membrane before the calculation and the electrostatic potential after completing the computation. We expect that ... researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate...

PTRACK
 Referenced in 3 articles
[sw10229]
 cylindrical coordinate system for the electrostatic potential of a charged particle beam in a circular...

AQUASOL
 Referenced in 3 articles
[sw17113]
 coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed...

MacMolPlt
 Referenced in 2 articles
[sw07039]
 orbitals, total electron densities and Molecular Electrostatic Potentials as 2D or 3D surfaces. Depending...

SCELib
 Referenced in 5 articles
[sw00831]
 resulting SCE wavefunction, electron density, electrostatic and exchange/correlation potentials can then be used...

DAMQT
 Referenced in 1 article
[sw22183]
 computation of the density, density deformations, electrostatic potential and field, and Hellmann–Feynman forces. Algorithms ... related properties like density deformations, electrostatic potential and field and Hellmann–Feynman forces have been...

MCMC2
 Referenced in 1 article
[sw10776]
 pairwise LennardJones potentials and electrostatic terms, including polarisation. The cluster statistical properties...

TINKER
 Referenced in 9 articles
[sw04095]
 novel reaction field treatment of long range electrostatics, fast distance geometry metrization with better sampling ... methods, Elber’s reaction path algorithm, our potential smoothing and search (PSS) methods for global...

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

Atomistix ToolKit
 Referenced in 3 articles
[sw15484]
 methods and classical potentials. Moreover, ATK includes a very advanced electrostatic model to allow realistic...

MDMC2
 Referenced in 1 article
[sw17668]
 body LennardJones potentials (main cohesive contribution) and electrostatic terms (repulsive contribution), possibly supplemented ... whole system. The derivatives of the potential energysurface are determined analytically which ensures...

LPMD
 Referenced in 1 article
[sw12495]
 such as the SuttonChen and Gupta potentials. Integrators to choose include Euler (if only ... Beeman, among others. Electrostatic forces are treated as another potential function, by default using...

neBEM
 Referenced in 7 articles
[sw06382]
 neBEM solver has been used to solve electrostatic problems having threedimensional edges and corners ... functions yielding exact values of potential and flux influences due to uniform surface distribution ... accuracy. We then consider several problems of electrostatics containing edges and singularities of various orders...

POT4A
 Referenced in 9 articles
[sw01206]
 line segment along which the potential is held at a given value. A dielectric interface ... program was developed to solve problems in electrostatics but can also be applied in other...