g-mmpbsa
g-mmpbsa is a tool for performing MM/PBSA (Molecular Mechanics/Poisson-Boltzmann Surface Area) calculations using output from GROMACS molecular dynamics simulations. It enables researchers to estimate binding free energies of biomolecular complexes. Primarily used in computational chemistry and biophysics research, it provides a command-line interface for analyzing simulation trajectories.
Open SourceGPL-3.0WebCLI
15stars
2forks
3features
2013since
Overview
3 featuresg-mmpbsa sits in PulseGate's Developer Tools category. It focuses on performing post-processing MM/PBSA calculations on GROMACS trajectories to estimate binding free energies. g-mmpbsa is an open-source project aimed at computational chemists and biophysicists. The project is open source (GPL-3.0). g-mmpbsa is available on the web and the command line.
g-mmpbsa first shipped in 2013. Development happens publicly on GitHub with 15 stars and 3 commits in the last 90 days. Among its 3 catalogued features are MM/PBSA analysis, GROMACS integration, and binding free energy calculation.
Summary written by a language model from the project’s public pages.
- MM/PBSA analysis
- GROMACS integration
- Binding free energy calculation
Tags
molecular-dynamicsmm-pbsagromacsfree-energycomputational-chemistry
Built with & integrations
Runs on
BrowserCLI
Trust & compliance
License
GPL-3.0
Verified signals
Indexing history
1What PulseGate has recorded for this listing
Frequently asked questions about g-mmpbsa
- What does g-mmpbsa do?
- G-mmpbsa focuses on performing post-processing MM/PBSA calculations on GROMACS trajectories to estimate binding free energies. It is catalogued under Developer Tools on PulseGate.
- Who should use g-mmpbsa?
- g-mmpbsa is an open-source project built for computational chemists and biophysicists.
- Is g-mmpbsa free?
- Yes — g-mmpbsa is open source under the GPL-3.0 license and free to use.
- What platforms does g-mmpbsa run on?
- g-mmpbsa runs on the web and the command line.
- Is g-mmpbsa still maintained?
- The GitHub repository shows 3 commits in the last 90 days.
- What are alternatives to g-mmpbsa?
- Similar projects tracked by PulseGate include Track Debug, ZenPress, and StarPulse.Track DebugZenPressStarPulse
- When did g-mmpbsa launch?
- g-mmpbsa first shipped in 2013.
- Is g-mmpbsa open source?
- Yes — g-mmpbsa is open source under the GPL-3.0 license, developed on GitHub.
Also in Developer Tools
Same category — not a similarity match