Valdes-Tresanco-MS / AMDock-winLinks
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
☆67Updated 3 years ago
Alternatives and similar repositories for AMDock-win
Users that are interested in AMDock-win are comparing it to the libraries listed below
Sorting:
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆48Updated 6 months ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 4 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆64Updated 2 years ago
- Fully automated high-throughput MD pipeline☆67Updated this week
- ☆93Updated 6 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆143Updated 2 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated 2 weeks ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- Computational Chemistry Workflows☆54Updated 3 years ago
- 3D pharmacophore signatures and fingerprints☆107Updated 3 months ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated last month
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆51Updated 3 weeks ago
- ☆51Updated 2 years ago
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆66Updated 2 years ago
- AI-powered Virtual Screening☆85Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆72Updated last year
- AutoDock CrankPep for peptide and disordered protein docking☆51Updated 4 years ago
- ☆76Updated 3 years ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated last year
- Open-source tool to generate 3D-ready small molecules for virtual screening☆63Updated 2 weeks ago
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆58Updated 6 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆90Updated 5 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆47Updated this week
- Molecular Dynamics for Experimentalists☆62Updated 2 weeks ago
- MDplot: Visualise Molecular Dynamics☆30Updated 3 years ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆19Updated 8 months ago