gaoqiweng / PROTAC-ModelLinks
Integrative modeling of PROTAC-mediated ternary complex
☆27Updated 3 years ago
Alternatives and similar repositories for PROTAC-Model
Users that are interested in PROTAC-Model are comparing it to the libraries listed below
Sorting:
- ☆18Updated 2 years ago
- ☆20Updated 2 years ago
- ☆33Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆28Updated last year
- ☆12Updated 3 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆35Updated 2 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 8 months ago
- ☆25Updated 5 years ago
- ☆13Updated 3 years ago
- ☆17Updated 2 years ago
- ☆26Updated 2 years ago
- ☆33Updated 3 years ago
- ☆16Updated 4 months ago
- Screening protocol with AUTODOCK-GPU☆11Updated 2 years ago
- Smash molecule and obtain significant fragments☆18Updated 3 years ago
- 3D ligand-based pharmacophore modeling☆48Updated 3 weeks ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆45Updated 3 weeks ago
- ☆13Updated 7 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- RF-Score-VS binary☆31Updated 6 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆18Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 2 months ago
- Scripts for running alchemical, free-energy perturbation simulations using Gromacs☆14Updated 7 years ago