Classical Molecular Interaction Potentials (CMIP)
CMIP performs a series of analysis centered in the obtention of molecular interaction potentials using classic formalisms:
Electrostatic interactions through coulombic potentials with several dielectric options or Poisson-Boltzmann equation
Van de Waals potentials computed from the Lennard-Jones expression
Electrostatic Solvation energy evaluated from PB potentials
Hydrophobic Solvation from surface analysis with a variety of alternative scales.
Topics
Collections
Details
- License:
- Apache-2.0
- Maturity:
- Mature
- Cost:
- Free of charge
- Tool Type:
- command-line tool
- Operating Systems:
- Linux, Mac
- Programming Languages:
- Fortran
- Added:
- 8/31/2023
- Last Updated:
- 11/24/2024
Operations
Data Inputs & Outputs
Protein property calculation
Publications
DOI: 10.1002/prot.1159
PMID: 11746690
Documentation
Downloads
- Software packagehttps://anaconda.org/bioconda/cmipBioConda package
- Source codehttps://mmb.irbbarcelona.org/gitlab/gelpi/CMIPSource Code in GitLab
Links
Related Tools
biobb
Relation: includedIn
bioexcel_building_blocks_tutorials_molecular_interaction_potentials
Relation: includedIn