• TABI

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

  • Referenced in 15 articles [sw17203]
  • PBEQ-Solver 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 solvent-accessible 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 ligand-protein 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 solvation-free 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 multipole-based 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]
  • molecular-electrostatics calculations in a continuum model. It computes solvation energies for proteins modeled with...
  • PIC-MCC

  • 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...
  • LS-VISM

  • Referenced in 3 articles [sw16158]
  • obtained by minimizing the VISM solvation free-energy 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 free-energy functional and a compact coupling interface method...
  • COILCHECK

  • Referenced in 1 article [sw30036]
  • measured using standard energy calculations involving non-bonded 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...