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Wei Dai

Wei

Research Student

Centre: Chemistry

Email: w.d.dai@qmul.ac.uk
Room Number: Joseph Priestley Building, First floor

Profile

Project Title: Cheminformatics and Machine Learning approaches for GPCR Computer-Aided Drug Design

 

Content:  This project will include the following activities:

This project will focus on the development and application of cheminformatics, machine learning (ML), and Artificial Intelligence (AI) approaches for Computer-Aided Drug Design (CADD) for G Protein Coupled Receptors (GPCRs), the largest family of cell signalling transmembrane proteins that can be modulated by a plethora of chemical compounds. This project will use the information available in many heterogeneous types of protein-ligand interaction data to develop models that enable the design of efficacious therapeutic compounds targeting GPCRs. The project will make extensive use of public bioactivity data drawn both from the literature and patents, as well as experimentally determined structures of GPCR-ligand complexes.

Funding: Biotechnology and Biological Sciences Research Council (BBSRC) + QM Studentship

Research

Publications

 

 

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