Persistent homology analysis of protein structure, flexibility, and folding von Xia, Kelin, Wei, Guo-Wei

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Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance von Chen, Jiahui, Wang, Rui, Gilby, Nancy Benovich, Wei, Guo-Wei

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Mutations Strengthened SARS-CoV-2 Infectivity von Chen, Jiahui, Wang, Rui, Wang, Menglun, Wei, Guo-Wei

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Integration of element specific persistent homology and machine learning for protein‐ligand binding affinity prediction von Cang, Zixuan, Wei, Guo‐Wei

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TopP–S: Persistent homology‐based multi‐task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility von Wu, Kedi, Zhao, Zhixiong, Wang, Renxiao, Wei, Guo‐Wei

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Multidimensional persistence in biomolecular data von Xia, Kelin, Wei, Guo-Wei

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Mechanisms of SARS-CoV‑2 Evolution Revealing Vaccine-Resistant Mutations in Europe and America von Wang, Rui, Chen, Jiahui, Wei, Guo-Wei

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Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies von Chen, Jiahui, Gao, Kaifu, Wang, Rui, Wei, Guo-Wei

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Omicron BA.2 (B.1.1.529.2): High Potential for Becoming the Next Dominant Variant von Chen, Jiahui, Wei, Guo-Wei

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Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening von Cang, Zixuan, Mu, Lin, Wei, Guo-Wei

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Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks von Wu, Kedi, Wei, Guo-Wei

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AGL-Score: Algebraic Graph Learning Score for Protein–Ligand Binding Scoring, Ranking, Docking, and Screening von Nguyen, Duc Duy, Wei, Guo-Wei

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Algebraic graph-assisted bidirectional transformers for molecular property prediction von Chen, Dong, Gao, Kaifu, Nguyen, Duc Duy, Chen, Xin, Jiang, Yi, Wei, Guo-Wei, Pan, Feng

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GGL-Tox: Geometric Graph Learning for Toxicity Prediction von Jiang, Jian, Wang, Rui, Wei, Guo-Wei

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Mutations on COVID-19 diagnostic targets von Wang, Rui, Hozumi, Yuta, Yin, Changchuan, Wei, Guo-Wei

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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges von Nguyen, Duc Duy, Cang, Zixuan, Wu, Kedi, Wang, Menglun, Cao, Yin, Wei, Guo-Wei

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Improvements to the APBS biomolecular solvation software suite von Jurrus, Elizabeth, Engel, Dave, Star, Keith, Monson, Kyle, Brandi, Juan, Felberg, Lisa E., Brookes, David H., Wilson, Leighton, Chen, Jiahui, Liles, Karina, Chun, Minju, Li, Peter, Gohara, David W., Dolinsky, Todd, Konecny, Robert, Koes, David R., Nielsen, Jens Erik, Head‐Gordon, Teresa, Geng, Weihua, Krasny, Robert, Wei, Guo‐Wei, Holst, Michael J., McCammon, J. Andrew, Baker, Nathan A.

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Vaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countries von Wang, Rui, Chen, Jiahui, Gao, Kaifu, Wei, Guo-Wei

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Persistent spectral graph von Wang, Rui, Nguyen, Duc Duy, Wei, Guo‐Wei

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Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology von Cang, Zixuan, Wei, Guo-Wei

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