briandasantini / cPEPmatchLinks
Tool to design cyclic peptides that mimic proteins and target their binding partners.
☆13Updated 10 months ago
Alternatives and similar repositories for cPEPmatch
Users that are interested in cPEPmatch are comparing it to the libraries listed below
Sorting:
- ☆25Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- ☆11Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- ☆35Updated 2 months ago
- ☆18Updated 2 years ago
- ☆32Updated last week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆18Updated last year
- ☆40Updated last year
- ☆45Updated 3 weeks ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- ☆21Updated 3 years ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆59Updated 7 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated last month
- ☆14Updated 2 years ago
- 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☆45Updated 3 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- Rosetta Funclib☆20Updated 5 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 6 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆25Updated last year
- ☆60Updated last year
- ☆32Updated last year
- ☆18Updated last year
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆63Updated 4 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- ☆27Updated 9 months ago
- Pocket dynamics analysis tool☆13Updated 3 weeks ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year