iriziotis / Uniprot-PDB-mapperLinks
Quick mapping of Uniprot sequences to PDB structures
☆32Updated 4 months ago
Alternatives and similar repositories for Uniprot-PDB-mapper
Users that are interested in Uniprot-PDB-mapper are comparing it to the libraries listed below
Sorting:
- Fully automated high-throughput MD pipeline☆63Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆50Updated 2 months ago
- Ligand-Protein Interaction Mapping☆57Updated 3 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆52Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 4 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆35Updated 3 weeks ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆57Updated 7 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆66Updated this week
- PandaDock: A Physics-Based Molecular Docking using Python☆72Updated last week
- ☆68Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- ☆48Updated last week
- ☆43Updated 4 months ago
- ☆50Updated 2 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆60Updated last month
- ☆11Updated 4 years ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated 3 weeks ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated last month
- ☆92Updated 5 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆40Updated 2 weeks ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 10 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆83Updated this week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆74Updated 3 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 3 weeks ago
- Molecular Dynamics for Experimentalists☆60Updated 3 weeks ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆29Updated 8 months ago
- A python module to plot secondary structure schemes☆25Updated last year
- ☆33Updated 9 months ago