3 papers
q-bio.BM2024
Reaction-conditioned De Novo Enzyme Design with GENzyme
Chenqing Hua, Jiarui Lu, Yong Liu +7
The introduction of models like RFDiffusionAA, AlphaFold3, AlphaProteo, and Chai1 has revolutionized protein structure modeling and interaction prediction, primarily from a binding…
cs.LG2024
EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics
Chenqing Hua, Yong Liu, Dinghuai Zhang +6
Enzyme design is a critical area in biotechnology, with applications ranging from drug development to synthetic biology. Traditional methods for enzyme function prediction or prote…
cs.LG2024
ReactZyme: A Benchmark for Enzyme-Reaction Prediction
Chenqing Hua, Bozitao Zhong, Sitao Luan +4
Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essen…