MM-PBSA method for GROMACS. For full description, please visit homepage:
☆69Jun 1, 2025Updated 10 months ago
Alternatives and similar repositories for g_mmpbsa
Users that are interested in g_mmpbsa are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆302Dec 8, 2025Updated 4 months ago
- gromacs(Protein-Ligand Complex)☆11Sep 20, 2022Updated 3 years ago
- PCA and normal mode analysis of proteins☆20May 16, 2024Updated last year
- Supernova's MM-PBSA binding free energy calculation tool.☆11Updated this week
- A python toolkit for analysing membrane protein-lipid interactions.☆70Mar 30, 2026Updated last week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Trusted force field files for gromacs☆70Oct 31, 2024Updated last year
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆52Jul 5, 2022Updated 3 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆188Sep 4, 2025Updated 7 months ago
- Dockerfile for GROMACS☆52Jun 29, 2023Updated 2 years ago
- An experimental package for deep learning for molecular docking☆21Mar 21, 2020Updated 6 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆67Apr 16, 2021Updated 4 years ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 12 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Dynamics PyMOL Plugin☆48Apr 19, 2024Updated last year
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Apr 23, 2016Updated 9 years ago
- Automatically exported from code.google.com/p/acpype☆12May 11, 2015Updated 10 years ago
- Data files for the molecular modelling course☆13Jan 26, 2024Updated 2 years ago
- ☆72Feb 24, 2026Updated last month
- ☆12Jul 30, 2019Updated 6 years ago
- ☆14Jun 4, 2024Updated last year
- A package for MD, Docking and Machine learning drug discovery pipeline☆46Aug 30, 2020Updated 5 years ago
- ☆13Dec 18, 2019Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆345Mar 21, 2026Updated 2 weeks ago
- Set of useful HADDOCK utility scripts☆57Sep 19, 2025Updated 6 months ago
- ☆32Apr 18, 2025Updated 11 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 4 months ago
- MM/PBSA binding free energy calculation☆22May 31, 2024Updated last year
- VirtualFlow for Virtual Screening☆189Aug 31, 2025Updated 7 months ago
- C-library for calculating Solvent Accessible Surface Areas☆182Nov 15, 2025Updated 4 months ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- AutoDock CrankPep for peptide and disordered protein docking☆61Oct 28, 2025Updated 5 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- OFFICIAL: AnteChamber PYthon Parser interfacE☆248Feb 18, 2026Updated last month
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- ☆17Sep 30, 2025Updated 6 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- pKa estimates for proteins using an ensemble approach☆29Jul 11, 2025Updated 8 months ago
- Temperature generator for Replica Exchange MD simulations☆29Dec 14, 2022Updated 3 years ago
- A tool for setting up free energy simulations.☆36Oct 20, 2022Updated 3 years ago