Martini-Force-Field-Initiative / M3_Ionizable_LipidsLinks
Martini 3 Building Blocks for Lipid Nanoparticle Design
☆15Updated this week
Alternatives and similar repositories for M3_Ionizable_Lipids
Users that are interested in M3_Ionizable_Lipids are comparing it to the libraries listed below
Sorting:
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆47Updated 3 weeks ago
- ☆68Updated 11 months ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆17Updated 6 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 months ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆32Updated 7 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- ☆32Updated 2 weeks ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated 10 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 8 months ago
- ☆50Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 4 months ago
- Extension of ThermoMPNN for double mutant predictions☆34Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆60Updated last week
- ☆45Updated 3 weeks ago
- ☆37Updated 2 months ago
- ☆40Updated last year
- ☆28Updated last year
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 6 months ago
- ☆65Updated 3 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- Modelling protein conformational landscape with Alphafold☆51Updated last week
- Code for designing biased protein states☆12Updated 3 weeks ago
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- protein structure prediction with precision☆18Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month