karanicolaslab / PROTAC_ternaryLinks
☆18Updated 3 years ago
Alternatives and similar repositories for PROTAC_ternary
Users that are interested in PROTAC_ternary are comparing it to the libraries listed below
Sorting:
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆33Updated 3 years ago
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆57Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆25Updated 2 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆14Updated last year
- 3D ligand-based pharmacophore modeling☆49Updated 2 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆25Updated 2 weeks ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆67Updated 6 months ago
- ☆62Updated last year
- ☆56Updated last year
- ☆36Updated 3 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- An open library to work with pharmacophores.☆45Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆48Updated 2 months ago
- De novo drug design with deep interactome learning☆36Updated last month
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Pocket dynamics analysis tool☆15Updated 2 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- ☆28Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated 3 weeks ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- ☆56Updated 2 years ago
- ☆37Updated last year
- ☆26Updated 2 years ago
- ☆43Updated 3 years ago
- ☆11Updated last year
- ☆20Updated 2 years ago