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

PBEQSolver
 Referenced in 13 articles
[sw17203]
 PBEQSolver for online visualization of electrostatic potential of biomolecules. PBEQSolver provides ... PoissonBoltzmann (PB) equations and interactively visualize the electrostatic potential. PBEQSolver 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 solventaccessible...

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 onedimensional 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 nonbonded 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, Xray based quantum refinement of crystal...

CPIC
 Referenced in 4 articles
[sw18104]
 code for spacecraftplasma interaction studies. We describe a new electrostatic particleincell ... 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 multicomponent 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 2body LennardJones ... contribution) and electrostatic terms (repulsive contribution), possibly supplemented by NNbody 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. Longrange 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 particleincell (PIC) – direct simulation Monte ... aerodynamics of LEO objects. The 2D aerodynamic interaction of a cylinder with a fixed uniform...