Jiali Gao

Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Chemical Biology; Chemical Physics; Computational Chemistry; Physical Chemistry; Organic Chemistry
"Jiali Gao"


Mean distance: 7.21


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William L. Jorgensen grad student 1987 Purdue
 (Theoretical studies of condensed phase chemistry)
Martin Karplus post-doc 1987-1990 Harvard


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Lakshmi S. Devi-Kesavan grad student 2003 UMN
Ramkumar Rajamani grad student 2003 UMN
Yao Fan grad student 2007 UMN
Kin-Yiu Wong grad student 2008 UMN
Jorge Estevez Mews grad student 2009 UMN
Pinsker Y. Lin grad student 2010 UMN
Jaebeom Han grad student 2014 UMN
Michael J. Mazack grad student 2014 UMN
Yingjie Wang grad student 2014 UMN
Miho Isegawa post-doc UMN
Sten Nilsson Lill post-doc UMN
Jingzhi Pu post-doc 2004-2005 UMN
Dan Thomas Major post-doc 2003-2006 UMN
Peng Bao post-doc 2010-2012 UMN


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Mudit Dixit collaborator UMN
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Gao J, Rossky PJ. (2022) The Age of Direct Chemical Dynamics. Accounts of Chemical Research. 55: 471-472
Chen X, Liu M, Gao J. (2022) CARNOT: a Fragment-Based Direct Molecular Dynamics and Virtual-Reality Simulation Package for Reactive Systems. Journal of Chemical Theory and Computation
Zhou S, Wang Y, Gao J. (2021) Solvation Induction of Free Energy Barriers of Decarboxylation Reactions in Aqueous Solution from Dual-Level QM/MM Simulations. Jacs Au. 1: 233-244
Zhao R, Grofe A, Wang Z, et al. (2021) Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules. The Journal of Physical Chemistry Letters. 7409-7417
Walker C, Wang Y, Olivieri C, et al. (2021) Is disrupted nucleotide-substrate cooperativity a common trait for Cushing's syndrome driving mutations of protein kinase A? Journal of Molecular Biology. 167123
Wang Y, Veglia G, Zhong D, et al. (2021) Activation mechanism of cryptochrome through an allosteric switch. Science Advances. 7
Zhou S, Nguyen BT, Richard JP, et al. (2020) Origin of Free Energy Barriers of Decarboxylation and the Reverse Process of CO Capture in Dimethylformamide and in Water. Journal of the American Chemical Society
Bao P, Hettich CP, Shi Q, et al. (2020) Block-Localized Excitation for Excimer Complex and Diabatic Coupling. Journal of Chemical Theory and Computation
Grofe A, Zhao R, Wildman A, et al. (2020) Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants. Journal of Chemical Theory and Computation
Li H, Wang Y, Ye M, et al. (2020) Dynamical and allosteric regulation of photoprotection in light harvesting complex II. Science China. Chemistry. 63: 1121-1133
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