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Welcome to Dr Meilan Huang's Computational Chemistry and Biology group

The research in my group is focused on rational engineering enzymes as biocatalysts for industrially important chemical transformations, by investigating enzymatic reaction mechanisms and substrate binding modes. We are also interested in structure-based drug discovery and protein structure and function relationship. With broad collaborations with biologists, biochemists and medicinal chemists from academia and industry, we aim to develop and apply computational modelling approaches to provide guidance for enzyme engineering and identification of novel anti-virus, anti-bacterial, and anti-cancer drug candidates.