RESEARCHER PROFILE
Peng Tao
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Southern Methodist University
Peng Tao works in Protein Structure and Dynamics, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Crystallography and molecular interactions, Crystal structures of chemical compounds. Recorded institutional associations include Southern Methodist University, Zhejiang University.
177Publications
4,135Citations
37H-index
Inclusion identifies researchers whose recorded research contributions may inform their university’s understanding of its research community. It does not rank individual research quality or establish current employment.
Selected research works
Up to 100 highly cited works; DOI links open the original research. Counts reflect the collected record, not real-time citation totals.
Machine learning of serum metabolic patterns encodes early-stage lung adenocarcinoma
2020 · 240 citationsChemiluminescent probes for imaging H 2 S in living animals
2015 · 167 citationsDecoding chemical information from vibrational spectroscopy data: Local vibrational mode theory
2020 · 152 citationsUMAP as a Dimensionality Reduction Tool for Molecular Dynamics Simulations of Biomacromolecules: A Comparison Study
2021 · 122 citationsADMETboost: a web server for accurate ADMET prediction
2022 · 121 citationst-Distributed Stochastic Neighbor Embedding Method with the Least Information Loss for Macromolecular Simulations
2018 · 116 citationsRecent progress in ligand-centered homogeneous electrocatalysts for hydrogen evolution reaction
2018 · 113 citationsDifferent Ways of Hydrogen Bonding in Water - Why Does Warm Water Freeze Faster than Cold Water?
2016 · 111 citationsInsights into Key Interactions between Vancomycin and Bacterial Cell Wall Structures
2018 · 110 citationsTotal Structure, Electronic Structure and Catalytic Hydrogenation Activity of Metal‐Deficient Chiral Polyhydride Cu 57 Nanoclusters
2023 · 81 citationsMulti‐layer 3D Chirality and Double‐Helical Assembly in a Copper Nanocluster with a Triple‐Helical Cu 15 Core
2023 · 80 citationsPASSer: prediction of allosteric sites server
2021 · 79 citationsAllosteric Regulation at the Crossroads of New Technologies: Multiscale Modeling, Networks, and Machine Learning
2020 · 75 citationsA toolkit to assist ONIOM calculations
2010 · 70 citationsPASSer: fast and accurate prediction of protein allosteric sites
2023 · 70 citationsA Sodalite‐Type Silver Orthophosphate Cluster in a Globular Silver Nanocluster
2020 · 67 citationsThe need to implement FAIR principles in biomolecular simulations
2025 · 67 citationsMatrix Metalloproteinase 2 Inhibition: Combined Quantum Mechanics and Molecular Mechanics Studies of the Inhibition Mechanism of (4-Phenoxyphenylsulfonyl)methylthiirane and Its Oxirane Analogue
2009 · 65 citationsVAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein–Ligand Binding Free Energy Calculations
2021 · 65 citationsPASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning
2022 · 61 citationsPhotomodulated Chiral Induction in Helical Azobenzene Oligomers
2008 · 59 citationsChelation-Assisted Selective Etching Construction of Hierarchical Polyoxometalate-Based Metal–Organic Framework
2020 · 54 citationsSSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction
2021 · 54 citationsExplore Protein Conformational Space With Variational Autoencoder
2021 · 51 citationsSynthesis of l -Daunosamine and l -Ristosamine Glycosides via Photoinduced Aziridination. Conversion to Thioglycosides for Use in Glycosylation Reactions
2006 · 47 citations