Peng Tao

According to our database, Peng Tao authored at least 19 papers between 2001 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

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.

Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Sian Xiao, Peng Tao, Gennady Verkhivker

J. Chem. Inf. Model., March, 2024

2023

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.

Sian Xiao, Mohammed Alshahrani, Grace Gupta, Peng Tao, Gennady Verkhivker

J. Chem. Inf. Model., August, 2023

PASSer: fast and accurate prediction of protein allosteric sites.

Hao Tian, Sian Xiao, Xi Jiang, Peng Tao

Nucleic Acids Res., July, 2023

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

Steve Agajanian, Mohammed Alshahrani, Fang Bai, Peng Tao, Gennady M. Verkhivker

J. Chem. Inf. Model., March, 2023

LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories.

Hao Tian, Xi Jiang, Sian Xiao, Hunter La Force, Eric C. Larson, Peng Tao

J. Chem. Inf. Model., 2023

PASSerRank: Prediction of allosteric sites with learning to rank.

Hao Tian, Sian Xiao, Xi Jiang, Peng Tao

J. Comput. Chem., 2023

2022

Sparse group selection and analysis of function-related residue for protein-state recognition.

Fangyun Bai, Kin Ming Puk, Jin Liu, Hongyu Zhou, Peng Tao, Wenyong Zhou, Shouyi Wang

J. Comput. Chem., 2022

Accurate ADMET Prediction with XGBoost.

Hao Tian, Rajas Ketkar, Peng Tao

CoRR, 2022

2021

Dimeric allostery mechanism of the plant circadian clock photoreceptor ZEITLUPE.

Francesco Trozzi, Feng Wang, Gennady Verkhivker, Brian D. Zoltowski, Peng Tao

PLoS Comput. Biol., 2021

PASSer: prediction of allosteric sites server.

Hao Tian, Xi Jiang, Peng Tao

Mach. Learn. Sci. Technol., 2021

2020

ivis Dimensionality Reduction Framework for Biomacromolecular Simulations.

Hao Tian, Peng Tao

J. Chem. Inf. Model., 2020

2019

Allosteric mechanism of the circadian protein Vivid resolved through Markov state model and machine learning analysis.

Hongyu Zhou, Zheng Dong, Gennady Verkhivker, Brian D. Zoltowski, Peng Tao

PLoS Comput. Biol., 2019

Probing Protein Allostery as a Residue-Specific Concept via Residue Response Maps.

Hamed S. Hayatshahi, Emilio Ahuactzin, Peng Tao, Shouyi Wang, Jin Liu

J. Chem. Inf. Model., 2019

Dynamical Behavior of β-Lactamases and Penicillin- Binding Proteins in Different Functional States and Its Potential Role in Evolution.

Feng Wang, Hongyu Zhou, Xinlei Wang, Peng Tao

Entropy, 2019

2018

An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps.

Arshad Mehmood, Stephanie I. Jones, Peng Tao, Benjamin G. Janesko

J. Chem. Inf. Model., 2018

Recognition of protein allosteric states and residues: Machine learning approaches.

Hongyu Zhou, Zheng Dong, Peng Tao

J. Comput. Chem., 2018

2016

Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.

Robert Kalescky, Hongyu Zhou, Jin Liu, Peng Tao

PLoS Comput. Biol., 2016

2010

A toolkit to assist ONIOM calculations.

Peng Tao, H. Bernhard Schlegel

J. Comput. Chem., 2010

2001

Protein ligand docking based on empirical method for binding affinity estimation.

Peng Tao, Luhua Lai

J. Comput. Aided Mol. Des., 2001