A new approach to edge detection. - Zujun Hou; Guo-Wei Wei 001 (Pattern Recognit., 2002)

Jump process for the trend estimation of time series. - Shan Zhao 001; Guo-Wei Wei 001 (Comput. Stat. Data Anal., 2003)

Comparison of the Discrete Singular Convolution and Three Other Numerical Schemes for Solving Fisher's Equation. - Shan Zhao 001; Guo-Wei Wei 001 (SIAM J. Sci. Comput., 2003)

Option valuation by using discrete singular convolution. - Shan Zhao 001; Guo-Wei Wei 001 (Appl. Math. Comput., 2005)

Recent Advances in Mathematical Methods for the Analysis of Biomedical Image. - Guowei Wei 001 (Int. J. Biomed. Imaging, 2006)

On the fictitious-domain and interpolation formulations of the matched interface and boundary (MIB) method. - Yongcheng Zhou; Guo-Wei Wei 001 (J. Comput. Phys., 2006)

High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources. - Yongcheng Zhou; Shan Zhao 001; Michael Feig; Guo-Wei Wei 001 (J. Comput. Phys., 2006)

On the validity of "A proof that the discrete singular convolution (DSC)/Lagrange-distributed approximation function (LDAF) method is inferior to high order finite differences". - Guo-Wei Wei 001; Shan Zhao 001 (J. Comput. Phys., 2007)

Matched interface and boundary (MIB) method for elliptic problems with sharp-edged interfaces. - Sining Yu; Yongcheng Zhou; Guo-Wei Wei 001 (J. Comput. Phys., 2007)

Minimal molecular surfaces and their applications. - Peter W. Bates; Guo-Wei Wei 001; Shan Zhao 001 (J. Comput. Chem., 2008)

Highly accurate biomolecular electrostatics in continuum dielectric environments. - Yongcheng Zhou; Michael Feig; Guo-Wei Wei 001 (J. Comput. Chem., 2008)

A Multiscale Model for Virus Capsid Dynamics. - Changjun Chen; Rishu Saxena; Guo-Wei Wei 001 (Int. J. Biomed. Imaging, 2010)

Mathematical Methods for Images and Surfaces. - Guowei Wei 001; Lalita Udpa; Yang Wang 020; Shan Zhao 001 (Int. J. Biomed. Imaging, 2010)

Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices. - Duan Chen; Guo-Wei Wei 001 (J. Comput. Phys., 2010)

MIBPB: A software package for electrostatic analysis. - Duan Chen; Zhan Chen; Changjun Chen; Weihua Geng; Guo-Wei Wei 001 (J. Comput. Chem., 2011)

Multiscale molecular dynamics using the matched interface and boundary method. - Weihua Geng; Guo-Wei Wei 001 (J. Comput. Phys., 2011)

MIB method for elliptic equations with multi-material interfaces. - Kelin Xia; Meng Zhan; Guo-Wei Wei 001 (J. Comput. Phys., 2011)

Second-order Poisson-Nernst-Planck solver for ion transport. - Qiong Zheng; Duan Chen; Guo-Wei Wei 001 (J. Comput. Phys., 2011)

Mathematical Methods for Images and Surfaces 2011. - Weihong Guo 002; Lalita Udpa; Yang Wang 020; Guowei Wei 001; Shan Zhao 001 (Int. J. Biomed. Imaging, 2012)

Selective Extraction of Entangled Textures via Adaptive PDE Transform. - Yang Wang 020; Guo-Wei Wei 001; Siyang Yang (Int. J. Biomed. Imaging, 2012)

Adaptively deformed mesh based interface method for elliptic equations with discontinuous coefficients. - Kelin Xia; Meng Zhan; Decheng Wan; Guo-Wei Wei 001 (J. Comput. Phys., 2012)

Mode Decomposition Evolution Equations. - Yang Wang 020; Guo-Wei Wei 001; Siyang Yang (J. Sci. Comput., 2012)

Iterative Filtering Decomposition Based on Local Spectral Evolution Kernel. - Yang Wang 020; Guo-Wei Wei 001; Siyang Yang (J. Sci. Comput., 2012)

Variational Multiscale Models for Charge Transport. - Guo-Wei Wei 001; Qiong Zheng; Zhan Chen; Kelin Xia (SIAM Rev., 2012)

Multiscale geometric modeling of macromolecules II: Lagrangian representation. - Xin Feng; Kelin Xia; Zhan Chen; Yiying Tong; Guo-Wei Wei 001 (J. Comput. Chem., 2013)

Parameterization of a geometric flow implicit solvation model. - Dennis G. Thomas; Jaehun Chun; Zhan Chen; Guowei Wei 001; Nathan A. Baker (J. Comput. Chem., 2013)

A molecular level prototype for mechanoelectrical transducer in mammalian hair cells. - Jinkyoung Park; Guo-Wei Wei 001 (J. Comput. Neurosci., 2013)

Weak Galerkin methods for second order elliptic interface problems. - Lin Mu; Junping Wang; Guowei Wei 001; Xiu Ye; Shan Zhao 001 (J. Comput. Phys., 2013)

A Galerkin formulation of the MIB method for three dimensional elliptic interface problems. - Kelin Xia; Guo-Wei Wei 001 (Comput. Math. Appl., 2014)

MIB Galerkin method for elliptic interface problems. - Kelin Xia; Meng Zhan; Guo-Wei Wei 001 (J. Comput. Appl. Math., 2014)

Multiscale geometric modeling of macromolecules I: Cartesian representation. - Kelin Xia; Xin Feng; Zhan Chen; Yiying Tong; Guo-Wei Wei 001 (J. Comput. Phys., 2014)

Matched interface and boundary method for elasticity interface problems. - Bao Wang 001; Kelin Xia; Guo-Wei Wei 001 (J. Comput. Appl. Math., 2015)

Multiresolution Topological Simplification. - Kelin Xia; Zhixiong Zhao; Guo-Wei Wei 001 (J. Comput. Biol., 2015)

Persistent homology for the quantitative prediction of fullerene stability. - Kelin Xia; Xin Feng; Yiying Tong; Guo-Wei Wei 001 (J. Comput. Chem., 2015)

Multidimensional persistence in biomolecular data. - Kelin Xia; Guo-Wei Wei 001 (J. Comput. Chem., 2015)

Impact of geometric, thermal and tunneling effects on nano-transistors. - Langhua Hu; Duan Chen; Guo-Wei Wei 001 (J. Comput. Phys., 2015)

Second order method for solving 3D elasticity equations with complex interfaces. - Bao Wang 001; Kelin Xia; Guo-Wei Wei 001 (J. Comput. Phys., 2015)

Flexibility-rigidity index for protein-nucleic acid flexibility and fluctuation analysis. - Kristopher Opron; Kelin Xia; Zach Burton; Guo-Wei Wei 001 (J. Comput. Chem., 2016)

Object-oriented persistent homology. - Bao Wang 001; Guo-Wei Wei 001 (J. Comput. Phys., 2016)

Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology. - Zixuan Cang; Guo-Wei Wei 001 (Bioinform., 2017)

Feature functional theory - binding predictor (FFT-BP) for the blind prediction of binding free energies. - Bao Wang 001; Zhixiong Zhao; Duc Duy Nguyen; Guo-Wei Wei 001 (CoRR, 2017)

Comparison of multi-task convolutional neural network (MT-CNN) and a few other methods for toxicity prediction. - Kedi Wu; Guo-Wei Wei 001 (CoRR, 2017)

Finite volume formulation of the MIB method for elliptic interface problems. - Yin Cao; Bao Wang 001; Kelin Xia; Guo-Wei Wei 001 (J. Comput. Appl. Math., 2017)

Geometric and electrostatic modeling using molecular rigidity functions. - Lin Mu; Kelin Xia; Guo-Wei Wei 001 (J. Comput. Appl. Math., 2017)

ESES: Software for Eulerian solvent excluded surface. - Beibei Liu; Bao Wang 001; Rundong Zhao; Yiying Tong; Guo-Wei Wei 001 (J. Comput. Chem., 2017)

The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling. - Duc Duy Nguyen; Guo-Wei Wei 001 (J. Comput. Chem., 2017)

Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies. - Duc Duy Nguyen; Bao Wang 001; Guo-Wei Wei 001 (J. Comput. Chem., 2017)

TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions. - Zixuan Cang; Guo-Wei Wei 001 (PLoS Comput. Biol., 2017)

Rigidity Strengthening: A Mechanism for Protein-Ligand Binding. - Duc Duy Nguyen; Tian Xiao; Menglun Wang; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2017)

Protein pocket detection via convex hull surface evolution and associated Reeb graph. - Rundong Zhao; Zixuan Cang; Yiying Tong; Guo-Wei Wei 001 (Bioinform., 2018)

Divide-and-conquer strategy for large-scale Eulerian solvent excluded surface. - Rundong Zhao; Menglun Wang; Yiying Tong; Guo-Wei Wei 001 (Commun. Inf. Syst., 2018)

Breaking the polar-nonpolar division in solvation free energy prediction. - Bao Wang 001; Chengzhang Wang; Kedi Wu; Guo-Wei Wei 001 (J. Comput. Chem., 2018)

TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility. - Kedi Wu; Zhixiong Zhao; Renxiao Wang; Guo-Wei Wei 001 (J. Comput. Chem., 2018)

Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks. - Kedi Wu; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2018)

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening. - Zixuan Cang; Lin Mu; Guo-Wei Wei 001 (PLoS Comput. Biol., 2018)

Review of quantitative systems pharmacological modeling in thrombosis. - Limei Cheng; Guo-Wei Wei 001; Tarek Leil (Commun. Inf. Syst., 2019)

Generative network complex (GNC) for drug discovery. - Christopher Grow; Kaifu Gao; Duc Duy Nguyen; Guo-Wei Wei 001 (Commun. Inf. Syst., 2019)

Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges. - Duc Duy Nguyen; Zixuan Cang; Kedi Wu; Menglun Wang; Yin Cao; Guo-Wei Wei 001 (J. Comput. Aided Mol. Des., 2019)

AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding Scoring, Ranking, Docking, and Screening. - Duc Duy Nguyen; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2019)

Protein structure prediction beyond AlphaFold. - Guo-Wei Wei 001 (Nat. Mach. Intell., 2019)

3D hodge decompositions of edge- and face-based vector fields. - Rundong Zhao; Mathieu Desbrun; Guo-Wei Wei 001; Yiying Tong (ACM Trans. Graph., 2019)

Evolutionary homology on coupled dynamical systems with applications to protein flexibility analysis. - Zixuan Cang; Elizabeth Munch; Guo-Wei Wei 001 (J. Appl. Comput. Topol., 2020)

MathDL: mathematical deep learning for D3R Grand Challenge 4. - Duc Duy Nguyen; Kaifu Gao; Menglun Wang; Guo-Wei Wei 001 (J. Comput. Aided Mol. Des., 2020)

Generative Network Complex for the Automated Generation of Drug-like Molecules. - Kaifu Gao; Duc Duy Nguyen; Meihua Tu; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2020)

Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets. - Jian Jiang; Rui Wang 072; Menglun Wang; Kaifu Gao; Duc Duy Nguyen; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2020)

JCIM Special Issue on Generative Models for Molecular Design. - Kenneth M. Merz Jr.; Gianni De Fabritiis; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2020)

Generative Models for Molecular Design. - Kenneth M. Merz Jr.; Gianni De Fabritiis; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2020)

Decoding SARS-CoV-2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine. - Rui Wang 072; Yuta Hozumi; Changchuan Yin; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2020)

A topology-based network tree for the prediction of protein-protein binding affinity changes following mutation. - Menglun Wang; Zixuan Cang; Guo-Wei Wei 001 (Nat. Mach. Intell., 2020)

Persistent Cohomology for Data With Multicomponent Heterogeneous Information. - Zixuan Cang; Guo-Wei Wei 001 (SIAM J. Math. Data Sci., 2020)

UMAP-assisted K-means clustering of large-scale SARS-CoV-2 mutation datasets. - Yuta Hozumi; Rui Wang 072; Changchuan Yin; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2021)

AweGNN: Auto-parametrized weighted element-specific graph neural networks for molecules. - Timothy Szocinski; Duc Duy Nguyen; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2021)

SARS-CoV-2 becoming more infectious as revealed by algebraic topology and deep learning. - Jiahui Chen 006; Rui Wang 072; Guo-Wei Wei 001 (Commun. Inf. Syst., 2021)

Proteome-informed machine learning studies of cocaine addiction. - Kaifu Gao; Dong Chen; Alfred J. Robison; Guo-Wei Wei 001 (CoRR, 2021)

MLIMC: Machine learning-based implicit-solvent Monte Carlo. - Jiahui Chen 006; Weihua Geng; Guo-Wei Wei 001 (CoRR, 2021)

Geometric algebra generation of molecular surfaces. - Azzam Alfarraj; Guo-Wei Wei 001 (CoRR, 2021)

GGL-Tox: Geometric Graph Learning for Toxicity Prediction. - Jian Jiang; Rui Wang 072; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2021)

Computational Chemistry in Asia. - Guo-Wei Wei 001; Thereza A. Soares; Habibah A. Wahab; Renxiao Wang (J. Chem. Inf. Model., 2021)

Cluster learning-assisted directed evolution. - Yuchi Qiu; Jian Hu; Guo-Wei Wei 001 (Nat. Comput. Sci., 2021)

Persistent Laplacian projected Omicron BA.4 and BA.5 to become new dominating variants. - Jiahui Chen 006; Yuchi Qiu; Rui Wang 072; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2022)

Mathematical artificial intelligence design of mutation-proof COVID-19 monoclonal antibodies. - Jiahui Chen 006; Guowei Wei 001 (Commun. Inf. Syst., 2022)

CCP: Correlated Clustering and Projection for Dimensionality Reduction. - Yuta Hozumi; Rui Wang 072; Guo-Wei Wei 001 (CoRR, 2022)

Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance. - Jiahui Chen 006; Rui Wang 072; Nancy Benovich Gilby; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2022)

CLADE 2.0: Evolution-Driven Cluster Learning-Assisted Directed Evolution. - Yuchi Qiu; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2022)

The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods. - Thereza A. Soares; Ariane Nunes-Alves; Angelica Mazzolari; Fiorella Ruggiu; Guo-Wei Wei 001; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2022)

Computational Chemistry in Asia. - Guo-Wei Wei 001; Thereza A. Soares; Habibah A. Wahab; Feng Zhu 004 (J. Chem. Inf. Model., 2022)

Editorial on Machine Learning. - Guo-Wei Wei 001; Feng Zhu 004; Kenneth M. Merz Jr. (J. Chem. Inf. Model., 2022)

Topological data analysis hearing the shapes of drums and bells. - Guo-Wei Wei 001 (CoRR, 2023)

Mathematics-assisted directed evolution and protein engineering. - Yuchi Qiu; Guo-Wei Wei 001 (CoRR, 2023)

Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. - Hongsong Feng; Rui Wang 072; Chang-Guo Zhan; Guo-Wei Wei 001 (CoRR, 2023)

Machine Learning Study of the Extended Drug-target Interaction Network informed by Pain Related Voltage-Gated Sodium Channels. - Long Chen; Jian Jiang; Bozheng Dou; Hongsong Feng; Jie Liu 078; Yueying Zhu; Ben-gong Zhang; Tianshou Zhou; Guo-Wei Wei 001 (CoRR, 2023)

Chatbots in Drug Discovery: A Case Study on Anti-Cocaine Addiction Drug Development with ChatGPT. - Rui Wang 072; Hongsong Feng; Guo-Wei Wei 001 (CoRR, 2023)

ChatGPT for Computational Topology. - Jian Liu; Li Shen; Guo-Wei Wei 001 (CoRR, 2023)

K-Nearest-Neighbors Induced Topological PCA for scRNA Sequence Data Analysis. - Sean Cottrell; Yuta Hozumi; Guo-Wei Wei 001 (CoRR, 2023)

Emerging Dominant SARS-CoV-2 Variants. - Jiahui Chen 006; Rui Wang 072; Yuta Hozumi; Gengzhuo Liu; Yuchi Qiu; Xiaoqi Wei; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2023)

Editorial: Machine Learning in Bio-cheminformatics. - Kenneth M. Merz Jr.; Guo-Wei Wei 001; Feng Zhu 004 (J. Chem. Inf. Model., 2023)

Persistent spectral theory-guided protein engineering. - Yuchi Qiu; Guo-Wei Wei 001 (Nat. Comput. Sci., 2023)

Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models. - Hongsong Feng; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2023)

Integrating transformer and autoencoder techniques with spectral graph algorithms for the prediction of scarcely labeled molecular data. - Nicole Hayes; Ekaterina Merkurjev; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2023)

TIDAL: Topology-Inferred Drug Addiction Learning. - Zailiang Zhu; Bozheng Dou; Yukang Cao; Jian Jiang; Yueying Zhu; Dong Chen; Hongsong Feng; Jie Liu 078; Ben-gong Zhang; Tianshou Zhou; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2023)

Machine-learning analysis of opioid use disorder informed by MOR, DOR, KOR, NOR and ZOR-based interactome networks. - Hongsong Feng; Rana Elladki; Jian Jiang; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2023)

Multiscale laplacian learning. - Ekaterina Merkurjev; Duc Duy Nguyen; Guowei Wei 001 (Appl. Intell., 2023)

Machine-learning repurposing of DrugBank compounds for opioid use disorder. - Hongsong Feng; Jian Jiang; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2023)

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models. - Yuchi Qiu; Guo-Wei Wei 001 (Briefings Bioinform., 2023)

Topological deep learning based deep mutational scanning. - Jiahui Chen 006; Daniel R. Woldring; Faqing Huang; Xuefei Huang; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2023)

Editorial: Harnessing the Power of Large Language Model-Based Chatbots for Scientific Discovery. - Kenneth M. Merz Jr.; Guo-Wei Wei 001; Feng Zhu 004 (J. Chem. Inf. Model., 2023)

ChatGPT in Drug Discovery: A Case Study on Anticocaine Addiction Drug Development with Chatbots. - Rui Wang 072; Hongsong Feng; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2023)

Modeling Reactions from Chemical Theories to Machine Learning. - Kevin J. Naidoo; Kenneth M. Merz Jr.; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2023)

Position: Topological Deep Learning is the New Frontier for Relational Learning. - Theodore Papamarkou; Tolga Birdal; Michael M. Bronstein; Gunnar E. Carlsson; Justin Curry; Yue Gao; Mustafa Hajij; Roland Kwitt; Pietro Lio; Paolo Di Lorenzo; Vasileios Maroulas; Nina Miolane; et al. (ICML, 2024)

Hodge decomposition of vector fields in Cartesian grids. - Zhe Su; Yiying Tong; Guowei Wei 001 (SIGGRAPH Asia, 2024)

Multiscale topology in interactomic network: from transcriptome to antiaddiction drug repurposing. - Hongyan Du; Guo-Wei Wei 001; Tingjun Hou (Briefings Bioinform., 2024)

K-nearest-neighbors induced topological PCA for single cell RNA-sequence data analysis. - Sean Cottrell; Yuta Hozumi; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

Multiscale differential geometry learning of networks with applications to single-cell RNA sequencing data. - Hongsong Feng; Sean Cottrell; Yuta Hozumi; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

Preventing future zoonosis: SARS-CoV-2 mutations enhance human-animal cross-transmission. - Junjie Wee; Jiahui Chen 006; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

Position Paper: Challenges and Opportunities in Topological Deep Learning. - Theodore Papamarkou; Tolga Birdal; Michael M. Bronstein; Gunnar E. Carlsson; Justin Curry; Yue Gao; Mustafa Hajij; Roland Kwitt; Pietro Liò; Paolo Di Lorenzo; Vasileios Maroulas; Nina Miolane; et al. (CoRR, 2024)

Graph-Based Bidirectional Transformer Decision Threshold Adjustment Algorithm for Class-Imbalanced Molecular Data. - Nicole Hayes; Ekaterina Merkurjev; Guo-Wei Wei 001 (CoRR, 2024)

Persistent de Rham-Hodge Laplacians in the Eulerian representation. - Zhe Su; Yiying Tong; Guo-Wei Wei 001 (CoRR, 2024)

Analyzing single cell RNA sequencing with topological nonnegative matrix factorization. - Yuta Hozumi; Guo-Wei Wei 001 (J. Comput. Appl. Math., 2024)

Bridging Eulerian and Lagrangian Poisson-Boltzmann solvers by ESES. - Sheik Ahmed Ullah; Xin Yang; Benjamin Jones; Shan Zhao 001; Weihua Geng; Guo-Wei Wei 001 (J. Comput. Chem., 2024)

PLPCA: Persistent Laplacian-Enhanced PCA for Microarray Data Analysis. - Sean Cottrell; Rui Wang 072; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2024)

Preprocessing of Single Cell RNA Sequencing Data Using Correlated Clustering and Projection. - Yuta Hozumi; Kiyoto Aramis Tanemura; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2024)

Editorial: Machine Learning in Materials Science. - Kenneth M. Merz Jr.; Yee-Siew Choong; Zoe Cournia; Olexandr Isayev; Thereza A. Soares; Guo-Wei Wei 001; Feng Zhu 004 (J. Chem. Inf. Model., 2024)

Editorial: Cutting-Edge Methodologies in Omics Data Analysis. - Kenneth M. Merz Jr.; Guo-Wei Wei 001; Feng Zhu 004 (J. Chem. Inf. Model., 2024)

Hodge Decomposition of Single-Cell RNA Velocity. - Zhe Su; Yiying Tong; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2024)

Evaluation of AlphaFold 3's Protein-Protein Complexes for Predicting Binding Free Energy Changes upon Mutation. - Junjie Wee; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2024)

Multiscale topology-enabled structure-to-sequence transformer for protein-ligand interaction predictions. - Dong Chen; Jian Liu; Guo-Wei Wei 001 (Nat. Mac. Intell., 2024)

Combinatorial and Hodge Laplacians: Similarities and Differences. - Emily Ribando-Gros; Rui Wang 072; Jiahui Chen 006; Yiying Tong; Guo-Wei Wei 001 (SIAM Rev., 2024)

Integration of persistent Laplacian and pre-trained transformer for protein solubility changes upon mutation. - Junjie Wee; Jiahui Chen 006; Kelin Xia; Guo-Wei Wei 001 (Comput. Biol. Medicine, 2024)

Persistent Laplacian-enhanced algorithm for scarcely labeled data classification. - Gokul Bhusal; Ekaterina Merkurjev; Guo-Wei Wei 001 (Mach. Learn., 2024)

CAML: Commutative Algebra Machine Learning─A Case Study on Protein-Ligand Binding Affinity Prediction. - Hongsong Feng; Faisal Suwayyid; Mushal Zia; Junjie Wee; Yuta Hozumi; Chun-Long Chen; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2025)

Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated Anesthesia. - Jian Jiang; Long Chen; Yueying Zhu; Yazhou Shi; Huahai Qiu; Bengong Zhang; Tianshou Zhou; Guo-Wei Wei 001 (J. Chem. Inf. Model., 2025)

Manifold Topological Deep Learning for Biomedical Data. - Xiang Liu; Zhe Su; Yongyi Shi; Yiying Tong; Ge Wang; Guo-Wei Wei 001 (CoRR, 2025)

Multiscale Differential Geometry Learning for Protein Flexibility Analysis. - Hongsong Feng; Jeffrey Y. Zhao; Guo-Wei Wei 001 (J. Comput. Chem., 2025)