KULL-Centre / _2024_Cao_CALVADOSCOMLinks
☆16Updated 2 months ago
Alternatives and similar repositories for _2024_Cao_CALVADOSCOM
Users that are interested in _2024_Cao_CALVADOSCOM are comparing it to the libraries listed below
Sorting:
- ☆64Updated this week
- Convert coarse-grained protein structure to all-atom model☆38Updated 11 months ago
- ☆68Updated 11 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆19Updated 10 months ago
- ☆28Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆47Updated 3 weeks ago
- ☆42Updated last month
- ☆31Updated 7 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆69Updated 4 months ago
- mdml: Deep Learning for Molecular Simulations☆38Updated 2 weeks ago
- ☆40Updated last year
- ☆32Updated 2 weeks ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- ☆40Updated 3 weeks ago
- Modelling protein conformational landscape with Alphafold☆51Updated last week
- ☆32Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- ☆14Updated 2 years ago
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- ☆32Updated last year
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆18Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- ☆54Updated 2 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- Explicit crosslinks in AlphaFold 3☆22Updated 2 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated 2 weeks ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆46Updated 5 months ago
- ☆14Updated 5 months ago