8 papers
GlycoMAC: A Multiscale Metabolic-Glycosylation Framework for Predicting Glycosylation Across Conditions in Mammalian Cell Cultures
Yuming Zeng, Sarah W. Harcum, Jinxiang Pei +1
Antibody productivity and glycosylation quality in CHO cultures arise from a dynamically evolving metabolic environment, yet models often work in isolation or at a single scale. He…
Intracellular Measurement-Informed Multiscale Modeling for Scalable iPSC Manufacturing
Fuqiang Cheng, Zahra Foroozan Jahromi, Keqi Wang +10
Scalable manufacturing of human induced pluripotent stem cells (iPSCs) is essential for industrial-scale production of cell therapies and regenerative medicines. However, the 3D ag…
What drives performance in molecular MPNNs? An operator-level factorial benchmark
Panyu Jiao, Shuizhou Chen, Yiheng Shen +3
Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how speci…
Adaptive Fast-Slow Operator Splitting for Multiscale Biochemical Stochastic Dynamics
Yuming Zeng, Wei Xie, Keqi Wang
Stochastic reaction networks governed by Chemical Langevin Equations (CLE) exhibit pronounced multiscale dynamics spanning fast molecular reactions, intermediate transport, and slo…
A Modular Mechanistic In Silico Model for In Vitro Transcription Process Yield and Product Quality Prediction
Keqi Wang, Keilung Choy, Eli Reiser +10
In vitro transcription (IVT) plays a critical role in the manufacture of mRNA vaccines and therapeutics. Optimizing mRNA yield and ensuring product quality, such as capping efficie…
Multi-Scale Hybrid Modeling to Predict Cell Culture Process with Metabolic Phase Transitions
Keqi Wang, Sarah W. Harcum, Wei Xie
To advance understanding of cellular metabolism and reduce batch-to-batch variability in cell culture processes, this study introduces a multi-scale hybrid modeling framework desig…