VASP-E

VASP-E (Volumetric Analysis of Surface Properties with Electrostatics) is a tool for comparing volumetrics of protein-ligand/protein binding sites using electrostatics. The VASP-E algorithm uses three-dimensional solids to represent and compare electrostatic isopotentials and molecular surfaces.

Topic

Protein structural motifs and surfaces;Protein folds and structural domains

Detail

  • Operation: Molecular surface calculation

  • Software interface: Command-line user interface

  • Language: C++;C

  • License: GNU GENERAL PUBLIC LICENSE Version 3

  • Cost: Free

  • Version name: -

  • Credit: National Institutes of Health, National Science Foundation Grant.

  • Input: -

  • Output: -

  • Contact: Brian Y. Chen chen@cse.lehigh.edu, vasp.materialphysik@univie.ac.at, Barry Honig bh6@columbia.edu

  • Collection: -

  • Maturity: Stable

Publications

  • VASP-E: specificity annotation with a volumetric analysis of electrostatic isopotentials.
  • Chen BY. VASP-E: specificity annotation with a volumetric analysis of electrostatic isopotentials. PLoS Comput Biol. 2014 Aug 28;10(8):e1003792. doi: 10.1371/journal.pcbi.1003792. PMID: 25166865; PMCID: PMC4148194.
  • https://doi.org/10.1371/journal.pcbi.1003792
  • PMID: 25166865
  • PMC: PMC4148194

Download and documentation

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