szymonzaczek / MDMSLinks
MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins
☆25Updated 5 years ago
Alternatives and similar repositories for MDMS
Users that are interested in MDMS are comparing it to the libraries listed below
Sorting:
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆19Updated 2 years ago
- The code for the QuickVina homepage.☆34Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆55Updated this week
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- ☆31Updated 2 months ago
- development repository for PyInteraph2☆22Updated 3 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆69Updated last year
- ☆19Updated 11 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 3 weeks ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆34Updated last month
- MMTSB Tool Set☆31Updated last month
- A Consensus Docking Plugin for PyMOL☆73Updated last year
- Cloud-based Drug Binding Structure Prediction☆37Updated 3 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- ☆42Updated last month
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆35Updated 2 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated last month
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- Everything to do with the Mur Ligase Project☆28Updated 3 months ago
- The OpenMM Cookbook and Tutorials☆44Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆45Updated 6 months ago
- ☆16Updated 2 years ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆16Updated last month
- A parallel molecular docking program based on AutoDock Vina☆19Updated this week