Peng Tao

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2024 J jnl
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.
J. Chem. Inf. Model.
Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Sian Xiao, Peng Tao, Gennady Verkhivker
2023 J jnl
Exploring and Learning the Universe of Protein Allostery Using Artificial Intelligence Augmented Biophysical and Computational Approaches.
J. Chem. Inf. Model.
Steve Agajanian, Mohammed Alshahrani, Fang Bai, Peng Tao, Gennady M. Verkhivker
2023 J jnl
LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories.
J. Chem. Inf. Model.
Hao Tian, Xi Jiang, Sian Xiao, Hunter La Force, Eric C. Larson, Peng Tao
2023 J jnl
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.
J. Chem. Inf. Model.
Sian Xiao, Mohammed Alshahrani, Grace Gupta, Peng Tao, Gennady Verkhivker
2023 J jnl
PASSer: fast and accurate prediction of protein allosteric sites.
Nucleic Acids Res.
Hao Tian, Sian Xiao, Xi Jiang, Peng Tao
2023 J jnl
PASSerRank: Prediction of allosteric sites with learning to rank.
J. Comput. Chem.
Hao Tian, Sian Xiao, Xi Jiang, Peng Tao
2022 J jnl
Accurate ADMET Prediction with XGBoost.
CoRR
Hao Tian, Rajas Ketkar, Peng Tao
2022 J jnl
Sparse group selection and analysis of function-related residue for protein-state recognition.
J. Comput. Chem.
Fangyun Bai, Kin Ming Puk, Jin Liu, Hongyu Zhou, Peng Tao, Wenyong Zhou, Shouyi Wang
2021 J jnl
Dimeric allostery mechanism of the plant circadian clock photoreceptor ZEITLUPE.
PLoS Comput. Biol.
Francesco Trozzi, Feng Wang, Gennady Verkhivker, Brian D. Zoltowski, Peng Tao
2021 J jnl
PASSer: prediction of allosteric sites server.
Mach. Learn. Sci. Technol.
Hao Tian, Xi Jiang, Peng Tao
2020 J jnl
ivis Dimensionality Reduction Framework for Biomacromolecular Simulations.
J. Chem. Inf. Model.
Hao Tian, Peng Tao
2019 J jnl
Allosteric mechanism of the circadian protein Vivid resolved through Markov state model and machine learning analysis.
PLoS Comput. Biol.
Hongyu Zhou, Zheng Dong, Gennady Verkhivker, Brian D. Zoltowski, Peng Tao
2019 J jnl
Dynamical Behavior of β-Lactamases and Penicillin- Binding Proteins in Different Functional States and Its Potential Role in Evolution.
Entropy
Feng Wang, Hongyu Zhou, Xinlei Wang, Peng Tao
2019 J jnl
Probing Protein Allostery as a Residue-Specific Concept via Residue Response Maps.
J. Chem. Inf. Model.
Hamed S. Hayatshahi, Emilio Ahuactzin, Peng Tao, Shouyi Wang, Jin Liu
2018 J jnl
An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps.
J. Chem. Inf. Model.
Arshad Mehmood, Stephanie I. Jones, Peng Tao, Benjamin G. Janesko
2018 J jnl
Recognition of protein allosteric states and residues: Machine learning approaches.
J. Comput. Chem.
Hongyu Zhou, Zheng Dong, Peng Tao
2016 J jnl
Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.
PLoS Comput. Biol.
Robert Kalescky, Hongyu Zhou, Jin Liu, Peng Tao
2010 J jnl
A toolkit to assist ONIOM calculations.
J. Comput. Chem.
Peng Tao, H. Bernhard Schlegel
2001 J jnl
Protein ligand docking based on empirical method for binding affinity estimation.
J. Comput. Aided Mol. Des.
Peng Tao, Luhua Lai