Platform for Computational Biology & Drug Design

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Cavity

A web server for protein cavity detection with ligandability and druggability prediction.

CavityPlus

A web server for protein cavity detection with pharmacophore modeling, allosteric site identification and covalent ligand binding ability prediction.

Chinese medicine

An AI system for automated Chinese medicine diagnose.

Corrsite

A web server for the prediction of allosteric sites on protein structures.

DL-AOT

Deep learning model for acute oral toxicity (AOT) predicton of small molecules.

DL-CYP

Prediction of human cytochrome P450 inhibition using a multi-task deep autoencoder neural network.

DL-DILI

Deep learning model for drug-induced liver injury predicton.

DL-PPI

Deep learning model for protein-protein interaction predicton.

LIGBUILDER

A multiple-purposed program developed for structure-based de novo drug design and optimization.

PAM

A web server for predicting amyloid fibril-forming segments based on the microcrystal structure NNQQNY and the statistical residue-based potential KBP(Knowledge-based potential).

Pocket

A web server for receptor-based pharmacophore modelling.

SCORE

Prediction of protein-ligand binding affinities using the SCORE functions.

molecular design laboratory