/tools/AI-for-De-novo-Peptide-Drug-Design
AI-for-De-novo-Peptide-Drug-Design
pakhichhetri07/AI-for-De-novo-Peptide-Drug-Design
0 stars0 forksJupyter NotebookAdded February 8, 2026
summary
This tool is designed for de novo peptide drug design targeting beta-lactamase using deep learning techniques. It validates the designed peptides through structure prediction, docking, and molecular dynamics simulations, contributing to antimicrobial resistance (AMR) drug discovery.
description
Designed antimicrobial peptides targeting beta-lactamase using deep learning (Transformers, RF Diffusion, GNNs). Validated peptides via structure prediction (AlphaFold2/RosettaFold), docking (AutoDock v4.2.6), and MD simulations (GROMACS), showing stable interactions for AMR drug discovery.
Ratings
N/A
0 ratings
Rate this tool: