• TABI

  • Referenced in 29 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...
  • PBEQ-Solver

  • Referenced in 14 articles [sw17203]
  • PBEQ-Solver for online visualization of electrostatic potential of biomolecules. PBEQ-Solver provides ... equations and interactively visualize the electrostatic potential. PBEQ-Solver calculates (i) electrostatic potential and solvation ... Users can interactively inspect the calculated electrostatic potential on the solvent-accessible surface as well ... electrostatic potential contours using a novel online visualization tool based on MarvinSpace molecular visualization software...
  • DelPhi Web Server

  • Referenced in 8 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 4 articles [sw10229]
  • cylindrical coordinate system for the electrostatic potential of a charged particle beam in a circular...
  • MacMolPlt

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

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

  • Referenced in 2 articles [sw34312]
  • DelPhi Gaussian dielectric function to calculate electrostatic potentials generated by charges of biomolecules. Topology parameters...
  • 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...
  • MacroDensity

  • Referenced in 1 article [sw38603]
  • python scripts to read in a electrostatic potentials and electron densities from electronic structure calculations...
  • DAFMPB

  • Referenced in 1 article [sw40371]
  • solver) for rapid evaluation of the electrostatic potentials and forces, and total solvation-free energy...
  • MCMC2

  • Referenced in 1 article [sw10776]
  • pairwise Lennard-Jones potentials and electrostatic terms, including polarisation. The cluster statistical properties...
  • TINKER

  • Referenced in 10 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...
  • TensorMol

  • Referenced in 1 article [sw40930]
  • nearsighted neural network potential with screened long-range electrostatic and van der Waals physics. This...