Peng Tao at and Delivery (CD4) Southern Methodist University Dallas Texas USA - Research Interests, Publications & Academic Profile

Peng Tao

University Name

United States

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Research Interests

Biochemistry

100%

Cell Biology

40%

Protein Chemistry

90%

Allosteric Regulation

50%

Molecular Docking

50%

Sars-cov-2

40%

Chemical Biology

30%

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Articles15

<i>β</i>‐sheets mediate the conformational change and allosteric signal transmission between the <scp><i>As</i>LOV2</scp> termini

Article Link

Year:

2024

Integration of a Randomized Sequence Scanning Approach in AlphaFold2 and Local Frustration Profiling of Conformational States Enable Interpretable Atomistic Characterization of Conformational Ensembles and Detection of Hidden Allosteric States in the ABL1 Protein Kinase

Article Link

Year:

2024

AlphaFold2 Predictions of Conformational Ensembles and Atomistic Simulations of the SARS-CoV-2 Spike XBB Lineages Reveal Epistatic Couplings between Convergent Mutational Hotspots that Control ACE2 Affinity

Article Link

Year:

2024

AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape

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Year:

2024

Exploring conformational landscapes and binding mechanisms of convergent evolution for the SARS-CoV-2 spike Omicron variant complexes with the ACE2 receptor using AlphaFold2-based structural ensembles and molecular dynamics simulations

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Year:

2024

Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms

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Year:

2023

From Deep Mutational Mapping of Allosteric Protein Landscapes to Deep Learning of Allostery and Hidden Allosteric Sites: Zooming in on “Allosteric Intersection” of Biochemical and Big Data Approaches

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Year:

2023

Exploring and Learning the Universe of Protein Allostery Using Artificial Intelligence Augmented Biophysical and Computational Approaches

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Year:

2023

PASSerRank: Prediction of allosteric sites with learning to rank

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Year:

2023

PASSer: fast and accurate prediction of protein allosteric sites

Article Link

Year:

2023

LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories

Article Link

Year:

2023

Computational investigation of peptidomimetics as potential inhibitors of SARS-CoV-2 spike protein

Article Link

Year:

2023

Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening

Article Link

Year:

2023

Assessments of Variational Autoencoder in Protein Conformation Exploration

Article Link

Year:

2023

Machine learning and protein allostery

Article Link

Year:

2023

Collaborators2

Hao Tian

Southern Methodist University

UNITED STATES

Gennady Verkhivker

Professor

Chapman University

UNITED STATES

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