Hao Tian

发表

LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories

Eric C. Larson, Peng Tao, Hao Tian, 2022, J. Chem. Inf. Model..

Unraveling the energetic significance of chemical events in enzyme catalysis via machine-learning based regression approach

Xinlei Wang, Peng Tao, Hongyu Zhou, 2020, Communications Chemistry.

Deciphering the protein motion of S1 subunit in SARS-CoV-2 spike glycoprotein through integrated computational methods

Peng Tao, Hao Tian, 2020, Journal of biomolecular structure & dynamics.

PASSer: prediction of allosteric sites server

Peng Tao, Hao Tian, Xi Jiang, 2020, Mach. Learn. Sci. Technol..

Mechanistic Insights into Enzyme Catalysis from Explaining Machine-Learned Quantum Mechanical and Molecular Mechanical Minimum Energy Pathways

Francesco Trozzi, Peng Tao, Hao Tian, 2022, ACS Physical Chemistry Au.

Deciphering the Allosteric Process of Phaeodactylum tricornutum Aureochrome 1a LOV Domain.

Francesco Trozzi, B. Zoltowski, Peng Tao, 2020, The journal of physical chemistry. B.

Accurate ADMET Prediction with XGBoost

Peng Tao, Hao Tian, Rajas Ketkar, 2022, ArXiv.

ivis Dimensionality Reduction Framework for Biomacromolecular Simulations

Hao Tian, Peng Tao, Peng Tao, 2020, J. Chem. Inf. Model..

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.

Xiuying Zhao, Liqun Zhang, Yangyang Gao, 2023, The journal of physical chemistry. B.

PASSer: fast and accurate prediction of protein allosteric sites

Peng Tao, Hao Tian, Xi Jiang, 2023, Nucleic Acids Res..

PASSerRank: Prediction of Allosteric Sites with Learning to Rank

Peng Tao, Hao Tian, Xi Jiang, 2023, ArXiv.

PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning

Peng Tao, Hao Tian, Sian Xiao, 2021, Frontiers in Molecular Biosciences.

ADMETboost: a web server for accurate ADMET prediction

Peng Tao, Hao Tian, Rajas Ketkar, 2022, Journal of Molecular Modeling.

A Benchmark Study of Graph Models for Molecular Acute Toxicity Prediction

Hao Tian, Rajas Ketkar, Hengji Wang, 2023, International journal of molecular sciences.

Explore Protein Conformational Space With Variational Autoencoder

Eric C. Larson, Francesco Trozzi, Peng Tao, 2021, Frontiers in Molecular Biosciences.

PASSerRank: Prediction of allosteric sites with learning to rank

Peng Tao, Hao Tian, Xi Jiang, 2023, Journal of computational chemistry.