Publications
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2023
- JCIMChatGPT in Drug Discovery: A Case Study on Anticocaine Addiction Drug Development with ChatbotsJournal of Chemical Information and Modeling 2023
- JMCMultiobjective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network ComplexJournal of Medicinal Chemistry 2023
- JCIMPLPCA: Persistent Laplacian Enhanced-PCA for Microarray Data AnalysisJournal of Chemical Information and Modeling 2023
- iScienceDeep Learning Enabled Quantification of Simultaneous PET/MRI for Cell Transplantation MonitoringiScience 2023
2022
- ChemRevMethodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2Chemical Reviews 2022
- ACS IDEmerging vaccine-breakthrough SARS-CoV-2 variantsACS Infectious Diseases 2022
- JCIMOmicron variant (B. 1.1. 529): Infectivity, vaccine breakthrough, and antibody resistanceJournal of Chemical Information and Modeling 2022
- arXivGraph and Hodge Laplacians: Similarity and DifferencearXiv preprint arXiv:2204.12218 2022
- FoDSPersistent Laplacian projected Omicron BA. 4 and BA. 5 to become new dominating variantsComputers in Biology and Medicine 2022
- FoDSPersistent Path LaplacianFoundation of Data Science 2022
- arXivCCP: Correlated Clustering and Projection for Dimensionality ReductionarXiv preprint arXiv:2206.04189 2022
- JCIMEmerging dominant SARS-CoV-2 variantsJournal of Chemical Information and Modeling 2022
2021
- AR of BiophyReview of COVID-19 antibody therapiesAnnual Review of Biophysics 2021
- ChemSciPrediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapiesChemical Science 2021
- CBMUMAP-assisted K-means clustering of large-scale SARS-CoV-2 mutation datasetsComputers in Biology and Medicine 2021
- CISSARS-CoV-2 becoming more infectious as revealed by algebraic topology and deep learningCommunications in Information and Systems 2021
- CommBioAnalysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variantsCommunications Biology 2021
- JCIMGGL-Tox: geometric graph learning for toxicity predictionJournal of Chemical Information and Modeling 2021
- FoDSHERMES: Persistent spectral graph softwareFondations of Data Science (Springfield, Mo.) 2021
- JMBRevealing the threat of emerging SARS-CoV-2 mutations to antibody therapiesJournal of Molecular Biology 2021
- GenomicsVaccine-escape and fast-growing mutations in the United Kingdom, the United States, Singapore, Spain, India, and other COVID-19-devastated countriesGenomics 2021
- arXivReview of the mechanisms of SARS-CoV-2 evolution and transmissionArXiv 2021
- JPCLMechanisms of SARS-CoV-2 evolution revealing vaccine-resistant mutations in Europe and AmericaThe Journal of Physical Chemistry Letters 2021
- JMCPerspectives on SARS-CoV-2 main protease inhibitorsJournal of Medicinal Chemistry 2021
2020
- IJNMBEPersistent spectral graphInternational Journal for Numerical Methods in Biomedical Engineering 2020
- JCIMBoosting tree-assisted multitask deep learning for small scientific datasetsJournal of Chemical Information and Modeling 2020
- BioRxivMachine intelligence design of 2019-nCoV drugsBioRxiv 2020
- JCIMDecoding SARS-CoV-2 transmission and evolution and ramifications for COVID-19 diagnosis, vaccine, and medicineJournal of Chemical Information and Modeling 2020
- GenomicsMutations on COVID-19 diagnostic targetsGenomics 2020
- JPCLRepositioning of 8565 existing drugs for COVID-19The Journal of Physical Chemistry Letters 2020
- JMBMutations strengthened SARS-CoV-2 infectivityJournal of Molecular Biology 2020
- JPCLDecoding asymptomatic COVID-19 infection and transmissionThe Journal of Physical Chemistry Letters 2020
- VirusesHost immune response driving SARS-CoV-2 evolutionViruses 2020
- ChemSciUnveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learningChemical Science 2020