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Jiali Gao is a theoretical and computational biochemist, whose work focuses on the structure and properties of macromolecular systems. This includes the understanding of protein dynamics and enzyme catalysis, biomolecular interactions and assembly, and biophysical systems biology, as well as the development of quantum and classical mechanical methodologies. The major focus of his research in the past few years has been the understanding of enzyme catalysis based on analyses of the structure and energetics from dynamics simulations in which quantum mechanics is used both to represent the potential energy surface and to treat the nuclear tunneling. He is currently pioneering an effort to develop a fully quantal force field for simulation and modeling of materials, fluids, and biomacromolecules. He recently introduced the concept of analytical coarse-graining of macromolecular particles for the study of diffusion and assembly of proteins and nucleic acids in cells.
研究兴趣
论文共 441 篇作者统计合作学者相似作者
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Cristina Olivieri,Yingjie Wang,Caitlin Walker, Manu V. Subrahmanian, Kim N. Ha,David A. Bernlohr,Jiali Gao,Carlo Camilloni,Michele Vendruscolo,Susan S. Taylor,Gianluigi Veglia
crossref(2024)
The journal of physical chemistry. Ano. 40 (2023): 8473-8485
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Christian P. Hettich,Xiaoyong Zhang, David Kemper,Ruoqi Zhao,Shaoyuan Zhou,Yangyi Lu,Jiali Gao,Jun Zhang,Meiyi Liu
JACS AUno. 7 (2023): 1800-1819
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Journal of the American Chemical Societyno. 20 (2023): 11215-11226
bioRxiv : the preprint server for biology (2023)
Weitong Yao,Yujun Li,Danting Ma,Xudong Hou,Haimin Wang,Xiaojuan Tang, Dechun Cheng,He Zhang,Chengzhi Du,Hong Pan, Chao Li,Hua Lin,
Microbiology spectrumno. 6 (2023): e0267623-e0267623
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