RashmiKumari / g_mmpbsaLinks
MM-PBSA method for GROMACS. For full description, please visit homepage:
☆67Updated last month
Alternatives and similar repositories for g_mmpbsa
Users that are interested in g_mmpbsa are comparing it to the libraries listed below
Sorting:
- Software for biomolecular electrostatics and solvation calculations☆106Updated 10 months ago
- A simple Python library to generate model peptides☆87Updated 4 years ago
- Trusted force field files for gromacs☆53Updated 8 months ago
- Calculation of interatomic interactions in molecular structures☆75Updated 3 years ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆122Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated this week
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆70Updated 3 months ago
- Modeling with limited data☆59Updated last week
- AutoDock CrankPep for peptide and disordered protein docking☆51Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆69Updated last year
- A Consensus Docking Plugin for PyMOL☆74Updated last year
- MM/PBSA binding free energy calculation☆23Updated last year
- Calculation of interatomic interactions in molecular structures☆101Updated 10 months ago
- Protein and nucleic acid validation service☆82Updated last year
- FreeSASA Python Module☆55Updated last year
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆79Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆59Updated 3 weeks ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆150Updated 4 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆49Updated 6 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- VirtualFlow for Ligand Preparation☆58Updated 3 months ago
- Material from papers from KULL centre☆69Updated last year
- ☆45Updated 2 months ago
- C-library for calculating Solvent Accessible Surface Areas☆148Updated last week
- Python3 translation of AutoDockTools☆122Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆106Updated last year
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆112Updated 8 months ago