• APBS

  • Referenced in 88 articles [sw05766]
  • most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media...
  • PBEQ-Solver

  • Referenced in 13 articles [sw17203]
  • PBEQ-Solver for online visualization of electrostatic potential of biomolecules. PBEQ-Solver provides ... Poisson-Boltzmann (PB) equations and interactively visualize the electrostatic potential. PBEQ-Solver calculates (i) electrostatic ... protein–protein (DNA or RNA) electrostatic interaction energy and (iii) pKa of a selected titratable ... specified by users. Users can interactively inspect the calculated electrostatic potential on the solvent-accessible...
  • ProtoMol

  • Referenced in 8 articles [sw10728]
  • force computation, particularly due to electrostatic interactions. Several new and efficient algorithms are implemented...
  • COEFANG1

  • Referenced in 6 articles [sw10418]
  • elements of the Hamiltonian, including the electrostatic interaction, with respect to a basis...
  • MMM2D

  • Referenced in 4 articles [sw18357]
  • fast and accurate summation method for electrostatic interactions in 2D slab geometries. We present...
  • MMM1D

  • Referenced in 2 articles [sw18358]
  • MMM1D: a method for calculating electrostatic interactions in one-dimensional periodic geometries. We present ... method to accurately calculate the electrostatic energy and forces on charges in a system with...
  • Macrodox

  • Referenced in 2 articles [sw08087]
  • less able to accurately handle electrostatic interactions. Additionally the program is able to compute...
  • PAFMPB

  • Referenced in 5 articles [sw16770]
  • free energy, including the PB electrostatic and nonpolar interaction contributions. PAFMPB is implemented...
  • COILCHECK

  • Referenced in 1 article [sw30036]
  • energy calculations involving non-bonded and electrostatic interactions and for the presence of hydrogen bonds...
  • DelEnsembleElec

  • Referenced in 1 article [sw21782]
  • tool in facilitating the modeling of electrostatic interactions in biological systems...
  • elsepa

  • Referenced in 1 article [sw35736]
  • calculations for scattering by a local central interaction potential V ( r ) . For atoms and ions ... potential set equal to the electrostatic interaction energy between the projectile and the target, plus...
  • MOSCITO

  • Referenced in 1 article [sw04247]
  • summation is used for long range electrostatic interactions...
  • ChemShell

  • Referenced in 1 article [sw21148]
  • more efficient treatment of long range electrostatic interactions, X-ray based quantum refinement of crystal...
  • CPIC

  • Referenced in 4 articles [sw18104]
  • code for spacecraft-plasma interaction studies. We describe a new electrostatic particle-in-cell ... suited for multiscale problems associated with the interaction of complex objects with plasmas...
  • Apbsmem

  • Referenced in 4 articles [sw22298]
  • membrane. Electrostatic forces are one of the primary determinants of molecular interactions. They help guide ... binding. A popular method for computing the electrostatic properties of biological systems is to numerically...
  • TexMol

  • Referenced in 5 articles [sw13086]
  • TexMol: Interactive visual exploration of large flexible multi-component molecular complexes. While molecular visualization software ... allows dynamically computed physical properties data (e.g. electrostatics potential) to be mapped onto the molecular ... function. Finally, we present another approach to interactive molecular exploration using volumetric and structural rendering...
  • VASPsol

  • Referenced in 1 article [sw27046]
  • describes the effect of electrostatics, cavitation, and dispersion on the interaction between a solute...
  • MDMC2

  • Referenced in 1 article [sw17668]
  • either neutral or charged. The interaction potential is a sum of 2-body Lennard-Jones ... contribution) and electrostatic terms (repulsive contribution), possibly supplemented by NN-body polarisation interactions. There...
  • FFTSVD

  • Referenced in 10 articles [sw08886]
  • algorithm that is well suited for solving electrostatics problems that arise in traditional ... dominant source distributions and responses. Long-range interactions at each length scale are computed using...
  • pdFOAM

  • Referenced in 2 articles [sw24956]
  • perspective. In low Earth orbit (LEO), the interaction between the ionosphere and orbiting objects ... implementation, validation, and verification of the hybrid electrostatic particle-in-cell (PIC) – direct simulation Monte ... aerodynamics of LEO objects. The 2D aerodynamic interaction of a cylinder with a fixed uniform...