szymonzaczek / MDMSLinks
MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins
☆26Updated 5 years ago
Alternatives and similar repositories for MDMS
Users that are interested in MDMS are comparing it to the libraries listed below
Sorting:
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆20Updated 2 years ago
- ☆19Updated last year
- Structure-informed machine learning for kinase modeling☆57Updated this week
- ☆31Updated 4 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆49Updated 3 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 3 weeks ago
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 8 months ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated 2 weeks ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- MMTSB Tool Set☆32Updated last week
- Computational Analysis of Novel Drug Opportunities☆39Updated 3 months ago
- The code for the QuickVina homepage.☆33Updated 2 years ago
- The OpenMM Cookbook and Tutorials☆47Updated last week
- Dockerfile for GROMACS☆51Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 5 months ago
- ☆15Updated 7 years ago
- Python for chemoinformatics☆51Updated 6 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
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- Everything to do with the Mur Ligase Project☆28Updated 5 months ago
- ☆30Updated 3 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆27Updated 9 months ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 4 years ago
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆41Updated 5 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆42Updated this week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated 3 weeks ago