iriziotis / Uniprot-PDB-mapperLinks
Quick mapping of Uniprot sequences to PDB structures
☆32Updated 3 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:
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆48Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆34Updated 5 months ago
- ☆37Updated 2 weeks ago
- Ligand-Protein Interaction Mapping☆56Updated 2 months ago
- Fully automated high-throughput MD pipeline☆61Updated 3 weeks ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆56Updated 6 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated 3 weeks ago
- PandaDock: A Physics-Based Molecular Docking using Python☆70Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- ☆68Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆49Updated this week
- ☆48Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆63Updated 3 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 2 weeks ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 10 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆52Updated last week
- Open-source tool to generate 3D-ready small molecules for virtual screening☆58Updated this week
- Simple protein-ligand complex simulation with OpenMM☆85Updated last year
- ☆11Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- Molecular Dynamics for Experimentalists☆58Updated this week
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- ☆33Updated 9 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆78Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated 11 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆51Updated 3 weeks ago