Hao Tian

ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 19

Top Venues

bioRxiv : the preprint server for biology

Physical chemistry chemical physics : PCCP

Communications chemistry

The journal of physical chemistry. B

Southern Methodist University (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Southern Methodist University Aug 26 2019

United States

PHD :: Chemistry

Publications

Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Hao Tian, Sian Xiao, Peng Tao, Gennady M Verkhivker
Prediction of Conformational Ensembles and Structural Effects of State-Switching Allosteric Mutants in the Protein Kinases Using Comparative Analysis of AlphaFold2 Adaptations with Sequence Masking and Shallow Subsampling. bioRxiv : the preprint server for biology (2024)
Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Hao Tian, Sian Xiao, Peng Tao, Gennady M Verkhivker
Interpretable Atomistic Prediction and Functional Analysis of Conformational Ensembles and Allosteric States in Protein Kinases Using AlphaFold2 Adaptation with Randomized Sequence Scanning and Local Frustration Profiling. bioRxiv : the preprint server for biology (2024)
Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Hao Tian, Sian Xiao, Peng Tao, Gennady M Verkhivker
Interpretable Atomistic Prediction and Functional Analysis of Conformational Ensembles and Allosteric States in Protein Kinases Using AlphaFold2 Adaptation with Randomized Sequence Scanning and Local Frustration Profiling. bioRxiv : the preprint server for biology (2024)
Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Hao Tian, Sian Xiao, Peng Tao, Gennady M Verkhivker
Interpretable Atomistic Prediction and Functional Analysis of Conformational Ensembles and Allosteric States in Protein Kinases Using AlphaFold2 Adaptation with Randomized Sequence Scanning and Local Frustration Profiling. bioRxiv : the preprint server for biology (2024)
Keerthi Krishnan, Hao Tian, Peng Tao, Gennady M Verkhivker
Probing conformational landscapes and mechanisms of allosteric communication in the functional states of the ABL kinase domain using multiscale simulations and network-based mutational profiling of allosteric residue potentials. The Journal of chemical physics 157 (24) (2023)
Hao Tian, Sian Xiao, Xi Jiang, Peng Tao
PASSerRank: Prediction of allosteric sites with learning to rank. Journal of computational chemistry (2023)
Chao Yin, Zilin Song, Hao Tian, Timothy G Palzkill, Peng Tao
Unveiling the structural features that regulate carbapenem deacylation in KPC-2 through QM/MM and interpretable machine learning. Physical chemistry chemical physics : PCCP 25 (2) (2023)
Hao Tian, Sian Xiao, Xi Jiang, Peng Tao
PASSer: fast and accurate prediction of protein allosteric sites. Nucleic acids research (2023)
Chao Yin, Zilin Song, Hao Tian, Timothy G Palzkill, Peng Tao
Unveiling the structural features that regulate carbapenem deacylation in KPC-2 through QM/MM and interpretable machine learning. Physical chemistry chemical physics : PCCP 25 (2) (2023)
Haoxiang Li, Hao Tian, Yewei Chen, Sian Xiao, Xiu-Ying Zhao, Yangyang Gao, Liqun Zhang
Analyzing and Predicting the Viscosity of Polymer Nanocomposites in the Conditions of Temperature, Shear Rate, and Nanoparticle Loading with Molecular Dynamics Simulations and Machine Learning. The journal of physical chemistry. B (2023)
Rajas Ketkar, Yue Liu, Hengji Wang, Hao Tian
A Benchmark Study of Graph Models for Molecular Acute Toxicity Prediction. International journal of molecular sciences 24 (15) (2023)
Chao Yin, Zilin Song, Hao Tian, Timothy G Palzkill, Peng Tao
Unveiling the structural features that regulate carbapenem deacylation in KPC-2 through QM/MM and interpretable machine learning. Physical chemistry chemical physics : PCCP (2022)
Hao Tian, Xi Jiang, Sian Xiao, Hunter La Force, Eric C Larson, Peng Tao
LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories. Journal of chemical information and modeling (2022)
Zilin Song, Francesco Trozzi, Hao Tian, Chao Yin, Peng Tao
Mechanistic Insights into Enzyme Catalysis from Explaining Machine-Learned Quantum Mechanical and Molecular Mechanical Minimum Energy Pathways. ACS Physical Chemistry Au 2 (4) (2022)
Zilin Song, Hongyu Zhou, Hao Tian, Xinlei Wang, Peng Tao
Unraveling the energetic significance of chemical events in enzyme catalysis via machine-learning based regression approach. Communications chemistry 3 (1) (2020)
Zilin Song, Hongyu Zhou, Hao Tian, Xinlei Wang, Peng Tao
Unraveling the energetic significance of chemical events in enzyme catalysis via machine-learning based regression approach. Communications chemistry 3 (1) (2020)
Hao Tian, Francesco Trozzi, Brian D Zoltowski, Peng Tao
Deciphering the Allosteric Process of the Phaeodactylum tricornutum Aureochrome 1a LOV Domain. The journal of physical chemistry. B 124 (41) (2020)
Hao Tian, Peng Tao
ivis Dimensionality Reduction Framework for Biomacromolecular Simulations. Journal of chemical information and modeling 60 (10) (2020)
Hao Tian, Peng Tao
Deciphering the protein motion of S1 subunit in SARS-CoV-2 spike glycoprotein through integrated computational methods. Journal of biomolecular structure & dynamics 39 (17) (2020)

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Publication Activity (10 Years)

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Hao Tian