Muzatheking12 / MzDOCKLinks
MzDOCK - An Automated GUI based pipeline for Molecular Docking
☆24Updated 4 months ago
Alternatives and similar repositories for MzDOCK
Users that are interested in MzDOCK are comparing it to the libraries listed below
Sorting:
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Updated 4 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated last month
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated last month
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆26Updated 3 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Updated last year
- ☆32Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆21Updated last year
- Code for ApoDock☆21Updated 9 months ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 4 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- Open-source online virtual screening tools for large databases☆35Updated last month
- ☆54Updated 8 months ago
- Scripts to do docking, single virtual screening, and etc.☆21Updated 2 years ago
- ☆52Updated 3 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆20Updated last year
- Official Implementation of CompassDock☆21Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- ☆28Updated 2 years ago
- ☆13Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 10 months ago
- Cloud-based Drug Binding Structure Prediction☆46Updated 2 months ago
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- ☆22Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago