We welcome training and consultation services enquiry related to the topic below:
- Identification of protein target based on Graph Neural Network specific to user needs
- Hit identification using virtual screening (ligand- or structure-based)
- Hit to lead optimization affinity and selectivity
- Lead optimization of pharmaceutical properties
- Prediction of ligand-substrate interaction
- Analyse the drug-likeness and pharmacokinetic of the selected molecule
- Analyse the Biological Activity Spectrum of the selected ligand
- Mechanism of Action (MoA) prediction using deep learning
- Storage, indexing and retrieval of Simplified Molecular Input Line Entry Specifications (SMILES) and XML-based Chemical Markup Language in a database specific to the user requirements
- Build virtual library of compound classes including drug and its natural product analogue specific to the user needs
- Perform virtual screening to identify the small molecule compound that possess desired biological activity against a given target
- Prediction of the activity of compound based on matched molecule pair analysis
- Retrieval of 3D protein structure from protein databank
- Prediction of protein structure using deep learning
- Protein docking using deep learning