LS-VISM specifications

Unique identifier:
Command line interface
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 format:
Computer skills:
Software type:
Restrictions to use:
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.
Programming languages:


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LS-VISM support


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


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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

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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