Martini-Force-Field-Initiative / OLIVESLinks
☆11Updated 8 months ago
Alternatives and similar repositories for OLIVES
Users that are interested in OLIVES are comparing it to the libraries listed below
Sorting:
- Weighted Ensemble Data Analysis and Plotting☆24Updated last week
- ☆18Updated 3 years ago
- ☆21Updated 6 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 9 months ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- ☆12Updated last year
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆32Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 8 months ago
- ☆28Updated last month
- Cryptic pocket prediction using AlphaFold 2☆23Updated 2 years ago
- ☆25Updated last year
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆17Updated 2 weeks ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 3 weeks ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated last week
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 2 months ago
- A tutorials suite for BioSimSpace.☆25Updated last month
- A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)☆10Updated 3 years ago
- Lightweight induced fit docking☆21Updated 2 years ago
- ☆21Updated 4 months ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆12Updated 3 months ago
- ☆27Updated last year
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated 3 weeks ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆12Updated 3 months ago
- Multiscale Simulation Tool for Backmapping☆17Updated 3 months ago
- Computation of the drug-target relative residence times from RAMD simulations☆16Updated 9 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Updated 2 years ago
- Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…☆25Updated 2 years ago