briandasantini / cPEPmatchLinks
Tool to design cyclic peptides that mimic proteins and target their binding partners.
☆14Updated 11 months ago
Alternatives and similar repositories for cPEPmatch
Users that are interested in cPEPmatch are comparing it to the libraries listed below
Sorting:
- ☆26Updated last year
- ☆11Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated last month
- ☆37Updated 3 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- ☆35Updated last week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 8 months ago
- ☆40Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- ☆18Updated 2 years ago
- ☆60Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆21Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆11Updated 9 months ago
- ☆14Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- ☆48Updated last month
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆18Updated 5 months ago
- ☆32Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆75Updated last year
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆18Updated 5 months ago
- Pocket dynamics analysis tool☆13Updated last month
- Graph variational encoders for drug engineering and potentiation☆29Updated last year