Valdes-Tresanco-MS / AMDockLinks
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
☆70Updated 2 years ago
Alternatives and similar repositories for AMDock
Users that are interested in AMDock are comparing it to the libraries listed below
Sorting:
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- A Consensus Docking Plugin for PyMOL☆76Updated last year
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆51Updated last month
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 5 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 3 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated this week
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆67Updated 3 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆68Updated 2 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated last month
- Molecular Dynamics for Experimentalists☆63Updated 3 weeks ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆49Updated 7 months ago
- ☆94Updated 6 months ago
- Compilation of chemoinformatics and machine learning techniques☆59Updated 2 months ago
- Ligand-Protein Interaction Mapping☆62Updated 4 months ago
- MDplot: Visualise Molecular Dynamics☆30Updated 3 years ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- Trusted force field files for gromacs☆58Updated 10 months ago
- AutoDock CrankPep for peptide and disordered protein docking☆51Updated 4 years ago
- MM/PBSA binding free energy calculation☆23Updated last year
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 2 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆146Updated last week
- Calculation of interatomic interactions in molecular structures☆80Updated 3 years ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated 2 years ago
- A Python library for structural cheminformatics☆102Updated 4 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- A simple Python library to generate model peptides☆87Updated 4 years ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆128Updated 2 years ago
- an integrated tool for molecular docking and virtual screening☆72Updated 3 months ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 5 years ago