LS-VISM specifications

Information


Unique identifier OMICS_25469
Name LS-VISM
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data The atomic coordinates and partial charges of solute atoms, the LJ parameters in a forcefield, the solute-solvent surface tension, the bulk water density and bulk ionic concentrations, and some initial guesses of solute-solvent interfaces.
Output data The location of solute-solvent interface, an approximate value of the solvation free energy, and an estimate of the binding free energy for molecular binding.
Output format DAT, DX
Programming languages C++
Computer skills Advanced
Stability Stable
Maintained Yes

Versioning


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Maintainers


  • person_outline Shenggao Zhou <>
  • person_outline Li-Tien Cheng <>
  • person_outline Bo Li <>

Publication for LS-VISM

LS-VISM institution(s)
Department of Mathematics, University of California, San Diego, CA, USA; Parallel Computing Labs, San Diego, CA, USA; Soft Matter and Functional Materials, Helmholtz-Center Berlin, Berlin, Germany; Physics Department, Humboldt-University of Berlin, Berlin, Germany; Department of Chemistry and Biochemistry, Department of Pharmacology, Howard Hughes Medical Institute, University of California, San Diego, CA, USA
LS-VISM funding source(s)
Supported by the NSF through grant DMS-1319731 and the NIH R01GM096188 and by NSF, NIH, HHMI, and NBCR and the Deutsche Forschungsgemeinschaft.

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