Guo-Wei Wei

According to our database, Guo-Wei Wei authored at least 115 papers between 2002 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Integration of persistent Laplacian and pre-trained transformer for protein solubility changes upon mutation.

Junjie Wee, Jiahui Chen, Kelin Xia, Guo-Wei Wei

Comput. Biol. Medicine, February, 2024

Bridging Eulerian and Lagrangian Poisson-Boltzmann solvers by ESES.

Sheik Ahmed Ullah, Xin Yang, Benjamin Jones, Shan Zhao, Weihua Geng, Guo-Wei Wei

J. Comput. Chem., 2024

Position Paper: Challenges and Opportunities in Topological Deep Learning.

Theodore Papamarkou, Tolga Birdal, Michael Bronstein, Gunnar Carlsson, Justin Curry, Yue Gao, Mustafa Hajij, Roland Kwitt, Pietro Liò, Paolo Di Lorenzo, Vasileios Maroulas, Nina Miolane, Farzana Nasrin, Karthikeyan Natesan Ramamurthy, Bastian Rieck, Simone Scardapane, Michael T. Schaub, Petar Velickovic, Bei Wang, Yusu Wang, Guo-Wei Wei, Ghada Zamzmi

CoRR, 2024

2023

Modeling Reactions from Chemical Theories to Machine Learning.

Kevin J. Naidoo, Kenneth M. Merz Jr., Guo-Wei Wei

J. Chem. Inf. Model., December, 2023

ChatGPT in Drug Discovery: A Case Study on Anticocaine Addiction Drug Development with Chatbots.

Rui Wang, Hongsong Feng, Guo-Wei Wei

J. Chem. Inf. Model., November, 2023

Editorial: Harnessing the Power of Large Language Model-Based Chatbots for Scientific Discovery.

Kenneth M. Merz Jr., Guo-Wei Wei, Feng Zhu

J. Chem. Inf. Model., September, 2023

Topological deep learning based deep mutational scanning.

Jiahui Chen, Daniel R. Woldring, Faqing Huang, Xuefei Huang, Guo-Wei Wei

Comput. Biol. Medicine, September, 2023

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models.

Yuchi Qiu, Guo-Wei Wei

Briefings Bioinform., September, 2023

Machine-learning repurposing of DrugBank compounds for opioid use disorder.

Hongsong Feng, Jian Jiang, Guo-Wei Wei

Comput. Biol. Medicine, June, 2023

Multiscale laplacian learning.

Ekaterina Merkurjev, Duc Duy Nguyen, Guowei Wei

Appl. Intell., June, 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

Comput. Biol. Medicine, May, 2023

TIDAL: Topology-Inferred Drug Addiction Learning.

Zailiang Zhu, Bozheng Dou, Yukang Cao, Jian Jiang, Yueying Zhu, Dong Chen, Hongsong Feng, Jie Liu, Ben-gong Zhang, Tianshou Zhou, Guo-Wei Wei

J. Chem. Inf. Model., March, 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

Comput. Biol. Medicine, February, 2023

Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models.

Hongsong Feng, Guo-Wei Wei

Comput. Biol. Medicine, February, 2023

Persistent spectral theory-guided protein engineering.

Yuchi Qiu, Guo-Wei Wei

Nat. Comput. Sci., 2023

Editorial: Machine Learning in Bio-cheminformatics.

Kenneth M. Merz Jr., Guo-Wei Wei, Feng Zhu

J. Chem. Inf. Model., 2023

Emerging Dominant SARS-CoV-2 Variants.

Jiahui Chen, Rui Wang, Yuta Hozumi, Gengzhuo Liu, Yuchi Qiu, Xiaoqi Wei, Guo-Wei Wei

J. Chem. Inf. Model., 2023

Multiscale Topology in Interactomic Network: From Transcriptome to Antiaddiction Drug Repurposing.

Hongyan Du, Guo-Wei Wei, Tingjun Hou

CoRR, 2023

Analyzing Single Cell RNA Sequencing with Topological Nonnegative Matrix Factorization.

Yuta Hozumi, Guo-Wei Wei

CoRR, 2023

K-Nearest-Neighbors Induced Topological PCA for scRNA Sequence Data Analysis.

Sean Cottrell, Yuta Hozumi, Guo-Wei Wei

CoRR, 2023

ChatGPT for Computational Topology.

Jian Liu, Li Shen, Guo-Wei Wei

CoRR, 2023

Chatbots in Drug Discovery: A Case Study on Anti-Cocaine Addiction Drug Development with ChatGPT.

Rui Wang, Hongsong Feng, Guo-Wei Wei

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, Yueying Zhu, Ben-gong Zhang, Tianshou Zhou, Guo-Wei Wei

CoRR, 2023

Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex.

Hongsong Feng, Rui Wang, Chang-Guo Zhan, Guo-Wei Wei

CoRR, 2023

PLPCA: Persistent Laplacian Enhanced-PCA for Microarray Data Analysis.

Sean Cottrell, Rui Wang, Guowei Wei

CoRR, 2023

Mathematics-assisted directed evolution and protein engineering.

Yuchi Qiu, Guo-Wei Wei

CoRR, 2023

Persistent Laplacian-enhanced Algorithm for Scarcely Labeled Data Classification.

Gokul Bhusal, Ekaterina Merkurjev, Guo-Wei Wei

CoRR, 2023

Topological data analysis hearing the shapes of drums and bells.

Guo-Wei Wei

CoRR, 2023

2022

Editorial on Machine Learning.

Guo-Wei Wei, Feng Zhu, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2022

Computational Chemistry in Asia.

Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Feng Zhu

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, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2022

CLADE 2.0: Evolution-Driven Cluster Learning-Assisted Directed Evolution.

Yuchi Qiu, Guo-Wei Wei

J. Chem. Inf. Model., 2022

Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance.

Jiahui Chen, Rui Wang, Nancy Benovich Gilby, Guo-Wei Wei

J. Chem. Inf. Model., 2022

CCP: Correlated Clustering and Projection for Dimensionality Reduction.

Yuta Hozumi, Rui Wang, Guo-Wei Wei

CoRR, 2022

Mathematical artificial intelligence design of mutation-proof COVID-19 monoclonal antibodies.

Jiahui Chen, Guowei Wei

Commun. Inf. Syst., 2022

Persistent Laplacian projected Omicron BA.4 and BA.5 to become new dominating variants.

Jiahui Chen, Yuchi Qiu, Rui Wang, Guo-Wei Wei

Comput. Biol. Medicine, 2022

2021

Cluster learning-assisted directed evolution.

Yuchi Qiu, Jian Hu, Guo-Wei Wei

Nat. Comput. Sci., 2021

Computational Chemistry in Asia.

Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Renxiao Wang

J. Chem. Inf. Model., 2021

GGL-Tox: Geometric Graph Learning for Toxicity Prediction.

Jian Jiang, Rui Wang, Guo-Wei Wei

J. Chem. Inf. Model., 2021

Geometric algebra generation of molecular surfaces.

Azzam Alfarraj, Guo-Wei Wei

CoRR, 2021

MLIMC: Machine learning-based implicit-solvent Monte Carlo.

Jiahui Chen, Weihua Geng, Guo-Wei Wei

CoRR, 2021

Proteome-informed machine learning studies of cocaine addiction.

Kaifu Gao, Dong Chen, Alfred J. Robison, Guo-Wei Wei

CoRR, 2021

SARS-CoV-2 becoming more infectious as revealed by algebraic topology and deep learning.

Jiahui Chen, Rui Wang, Guo-Wei Wei

Commun. Inf. Syst., 2021

AweGNN: Auto-parametrized weighted element-specific graph neural networks for molecules.

Timothy Szocinski, Duc Duy Nguyen, Guo-Wei Wei

Comput. Biol. Medicine, 2021

UMAP-assisted <i>K</i>-means clustering of large-scale SARS-CoV-2 mutation datasets.

Yuta Hozumi, Rui Wang, Changchuan Yin, Guo-Wei Wei

Comput. Biol. Medicine, 2021

2020

Persistent Cohomology for Data With Multicomponent Heterogeneous Information.

Zixuan Cang, Guo-Wei Wei

SIAM J. Math. Data Sci., 2020

A topology-based network tree for the prediction of protein-protein binding affinity changes following mutation.

Menglun Wang, Zixuan Cang, Guo-Wei Wei

Nat. Mach. Intell., 2020

Decoding SARS-CoV-2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine.

Rui Wang, Yuta Hozumi, Changchuan Yin, Guo-Wei Wei

J. Chem. Inf. Model., 2020

Generative Models for Molecular Design.

Kenneth M. Merz Jr., Gianni De Fabritiis, Guo-Wei Wei

J. Chem. Inf. Model., 2020

JCIM Special Issue on Generative Models for Molecular Design.

Kenneth M. Merz Jr., Gianni De Fabritiis, Guo-Wei Wei

J. Chem. Inf. Model., 2020

Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets.

Jian Jiang, Rui Wang, Menglun Wang, Kaifu Gao, Duc Duy Nguyen, Guo-Wei Wei

J. Chem. Inf. Model., 2020

Generative Network Complex for the Automated Generation of Drug-like Molecules.

Kaifu Gao, Duc Duy Nguyen, Meihua Tu, Guo-Wei Wei

J. Chem. Inf. Model., 2020

MathDL: mathematical deep learning for D3R Grand Challenge 4.

Duc Duy Nguyen, Kaifu Gao, Menglun Wang, Guo-Wei Wei

J. Comput. Aided Mol. Des., 2020

Evolutionary homology on coupled dynamical systems with applications to protein flexibility analysis.

Zixuan Cang, Elizabeth Munch, Guo-Wei Wei

J. Appl. Comput. Topol., 2020

2019

3D hodge decompositions of edge- and face-based vector fields.

Rundong Zhao, Mathieu Desbrun, Guo-Wei Wei, Yiying Tong

ACM Trans. Graph., 2019

Protein structure prediction beyond AlphaFold.

Guo-Wei Wei

Nat. Mach. Intell., 2019

AGL-Score: Algebraic Graph Learning Score for Protein-Ligand Binding Scoring, Ranking, Docking, and Screening.

Duc Duy Nguyen, Guo-Wei Wei

J. Chem. Inf. Model., 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

J. Comput. Aided Mol. Des., 2019

Generative network complex (GNC) for drug discovery.

Christopher Grow, Kaifu Gao, Duc Duy Nguyen, Guo-Wei Wei

Commun. Inf. Syst., 2019

Review of quantitative systems pharmacological modeling in thrombosis.

Limei Cheng, Guo-Wei Wei, Tarek Leil

Commun. Inf. Syst., 2019

2018

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening.

Zixuan Cang, Lin Mu, Guo-Wei Wei

PLoS Comput. Biol., 2018

Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks.

Kedi Wu, Guo-Wei Wei

J. Chem. Inf. Model., 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

J. Comput. Chem., 2018

Breaking the polar-nonpolar division in solvation free energy prediction.

Bao Wang, Chengzhang Wang, Kedi Wu, Guo-Wei Wei

J. Comput. Chem., 2018

Divide-and-conquer strategy for large-scale Eulerian solvent excluded surface.

Rundong Zhao, Menglun Wang, Yiying Tong, Guo-Wei Wei

Commun. Inf. Syst., 2018

Protein pocket detection via convex hull surface evolution and associated Reeb graph.

Rundong Zhao, Zixuan Cang, Yiying Tong, Guo-Wei Wei

Bioinform., 2018

2017

Rigidity Strengthening: A Mechanism for Protein-Ligand Binding.

Duc Duy Nguyen, Tian Xiao, Menglun Wang, Guo-Wei Wei

J. Chem. Inf. Model., July, 2017

TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions.

Zixuan Cang, Guo-Wei Wei

PLoS Comput. Biol., 2017

Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies.

Duc Duy Nguyen, Bao Wang, Guo-Wei Wei

J. Comput. Chem., 2017

The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.

Duc Duy Nguyen, Guo-Wei Wei

J. Comput. Chem., 2017

ESES: Software for Eulerian solvent excluded surface.

Beibei Liu, Bao Wang, Rundong Zhao, Yiying Tong, Guo-Wei Wei

J. Comput. Chem., 2017

Geometric and electrostatic modeling using molecular rigidity functions.

Lin Mu, Kelin Xia, Guo-Wei Wei

J. Comput. Appl. Math., 2017

Finite volume formulation of the MIB method for elliptic interface problems.

Yin Cao, Bao Wang, Kelin Xia, Guo-Wei Wei

J. Comput. Appl. Math., 2017

Comparison of multi-task convolutional neural network (MT-CNN) and a few other methods for toxicity prediction.

Kedi Wu, Guo-Wei Wei

CoRR, 2017

Feature functional theory - binding predictor (FFT-BP) for the blind prediction of binding free energies.

Bao Wang, Zhixiong Zhao, Duc Duy Nguyen, Guo-Wei Wei

CoRR, 2017

Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology.

Zixuan Cang, Guo-Wei Wei

Bioinform., 2017

2016

Object-oriented persistent homology.

Bao Wang, Guo-Wei Wei

J. Comput. Phys., 2016

Flexibility-rigidity index for protein-nucleic acid flexibility and fluctuation analysis.

Kristopher Opron, Kelin Xia, Zach Burton, Guo-Wei Wei

J. Comput. Chem., 2016

2015

Second order method for solving 3D elasticity equations with complex interfaces.

Bao Wang, Kelin Xia, Guo-Wei Wei

J. Comput. Phys., 2015

Impact of geometric, thermal and tunneling effects on nano-transistors.

Langhua Hu, Duan Chen, Guo-Wei Wei

J. Comput. Phys., 2015

Multidimensional persistence in biomolecular data.

Kelin Xia, Guo-Wei Wei

J. Comput. Chem., 2015

Persistent homology for the quantitative prediction of fullerene stability.

Kelin Xia, Xin Feng, Yiying Tong, Guo-Wei Wei

J. Comput. Chem., 2015

Multiresolution Topological Simplification.

Kelin Xia, Zhixiong Zhao, Guo-Wei Wei

J. Comput. Biol., 2015

Matched interface and boundary method for elasticity interface problems.

Bao Wang, Kelin Xia, Guo-Wei Wei

J. Comput. Appl. Math., 2015

2014

Multiscale geometric modeling of macromolecules I: Cartesian representation.

Kelin Xia, Xin Feng, Zhan Chen, Yiying Tong, Guo-Wei Wei

J. Comput. Phys., 2014

MIB Galerkin method for elliptic interface problems.

Kelin Xia, Meng Zhan, Guo-Wei Wei

J. Comput. Appl. Math., 2014

A Galerkin formulation of the MIB method for three dimensional elliptic interface problems.

Kelin Xia, Guo-Wei Wei

Comput. Math. Appl., 2014

2013

Weak Galerkin methods for second order elliptic interface problems.

Lin Mu, Junping Wang, Guowei Wei, Xiu Ye, Shan Zhao

J. Comput. Phys., 2013

A molecular level prototype for mechanoelectrical transducer in mammalian hair cells.

Jinkyoung Park, Guo-Wei Wei

J. Comput. Neurosci., 2013

Parameterization of a geometric flow implicit solvation model.

Dennis G. Thomas, Jaehun Chun, Zhan Chen, Guowei Wei, Nathan A. Baker

J. Comput. Chem., 2013

Multiscale geometric modeling of macromolecules II: Lagrangian representation.

Xin Feng, Kelin Xia, Zhan Chen, Yiying Tong, Guo-Wei Wei

J. Comput. Chem., 2013

2012

Variational Multiscale Models for Charge Transport.

Guo-Wei Wei, Qiong Zheng, Zhan Chen, Kelin Xia

SIAM Rev., 2012

Iterative Filtering Decomposition Based on Local Spectral Evolution Kernel.

Yang Wang, Guo-Wei Wei, Siyang Yang

J. Sci. Comput., 2012

Mode Decomposition Evolution Equations.

Yang Wang, Guo-Wei Wei, Siyang Yang

J. Sci. Comput., 2012

Adaptively deformed mesh based interface method for elliptic equations with discontinuous coefficients.

Kelin Xia, Meng Zhan, Decheng Wan, Guo-Wei Wei

J. Comput. Phys., 2012

Selective Extraction of Entangled Textures via Adaptive PDE Transform.

Yang Wang, Guo-Wei Wei, Siyang Yang

Int. J. Biomed. Imaging, 2012

Mathematical Methods for Images and Surfaces 2011.

Weihong Guo, Lalita Udpa, Yang Wang, Guowei Wei, Shan Zhao

Int. J. Biomed. Imaging, 2012

2011

Second-order Poisson-Nernst-Planck solver for ion transport.

Qiong Zheng, Duan Chen, Guo-Wei Wei

J. Comput. Phys., 2011

MIB method for elliptic equations with multi-material interfaces.

Kelin Xia, Meng Zhan, Guo-Wei Wei

J. Comput. Phys., 2011

Multiscale molecular dynamics using the matched interface and boundary method.

Weihua Geng, Guo-Wei Wei

J. Comput. Phys., 2011

MIBPB: A software package for electrostatic analysis.

Duan Chen, Zhan Chen, Changjun Chen, Weihua Geng, Guo-Wei Wei

J. Comput. Chem., 2011

2010

Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices.

Duan Chen, Guo-Wei Wei

J. Comput. Phys., 2010

Mathematical Methods for Images and Surfaces.

Guowei Wei, Lalita Udpa, Yang Wang, Shan Zhao

Int. J. Biomed. Imaging, 2010

A Multiscale Model for Virus Capsid Dynamics.

Changjun Chen, Rishu Saxena, Guo-Wei Wei

Int. J. Biomed. Imaging, 2010

2008

Highly accurate biomolecular electrostatics in continuum dielectric environments.

Yongcheng Zhou, Michael Feig, Guo-Wei Wei

J. Comput. Chem., 2008

Minimal molecular surfaces and their applications.

Peter W. Bates, Guo-Wei Wei, Shan Zhao

J. Comput. Chem., 2008

2007

Matched interface and boundary (MIB) method for elliptic problems with sharp-edged interfaces.

Sining Yu, Yongcheng Zhou, Guo-Wei Wei

J. Comput. Phys., 2007

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, Shan Zhao

J. Comput. Phys., 2007

2006

High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources.

Yongcheng Zhou, Shan Zhao, Michael Feig, Guo-Wei Wei

J. Comput. Phys., 2006

On the fictitious-domain and interpolation formulations of the matched interface and boundary (MIB) method.

Yongcheng Zhou, Guo-Wei Wei

J. Comput. Phys., 2006

Recent Advances in Mathematical Methods for the Analysis of Biomedical Image.

Guowei Wei

Int. J. Biomed. Imaging, 2006

2005

Option valuation by using discrete singular convolution.

Shan Zhao, Guo-Wei Wei

Appl. Math. Comput., 2005

2003

Comparison of the Discrete Singular Convolution and Three Other Numerical Schemes for Solving Fisher's Equation.

Shan Zhao, Guo-Wei Wei

SIAM J. Sci. Comput., 2003

Jump process for the trend estimation of time series.

Shan Zhao, Guo-Wei Wei

Comput. Stat. Data Anal., 2003

2002

A new approach to edge detection.

Zujun Hou, Guo-Wei Wei

Pattern Recognit., 2002