Tingjun Hou

Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation model

AI‐Guided Design of Antimicrobial Peptide Hydrogels for Precise Treatment of Drug‐resistant Bacterial Infections

Precision Design of Fluorogenic Probes via Orthogonal Tuning of Binding and Photophysics for Isoform-Selective ALDH2 Imaging

Macrocycle-DB: a comprehensive database for macrocycle-based drug discovery

Artificial intelligence empowering the full spectrum of drug discovery

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support

Efficient and accurate large library ligand docking with KarmaDock

Recent advances in deep learning for retrosynthesis

Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency

Root-aligned SMILES: a tight representation for chemical reaction prediction

DrugMAP: molecular atlas and pharma-information of all drugs

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction

Structural insights into ligand recognition and activation of the melanocortin-4 receptor

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

The inflammatory cytokine IL-6 induces FRA1 deacetylation promoting colorectal cancer stem-like properties

Increased gene copy number of <i>DEFA1/DEFA3</i> worsens sepsis by inducing endothelial pyroptosis

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods

Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models