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Jinfeng Liu
Jinfeng Liu
Associate professor, China Pharmaceutical University
Verified email at student.ecnu.edu.cn
Title
Cited by
Cited by
Year
Fragment quantum mechanical calculation of proteins and its applications
X He, T Zhu, X Wang, J Liu, JZH Zhang
Accounts of chemical research 47 (9), 2748-2757, 2014
1882014
Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory
J Liu, X He, JZH Zhang, LW Qi
Chemical science 9 (8), 2065-2073, 2018
1182018
Ginsenoside Rg1 inhibits glucagon-induced hepatic gluconeogenesis through Akt-FoxO1 interaction
Q Liu, FG Zhang, WS Zhang, A Pan, YL Yang, JF Liu, P Li, BL Liu, LW Qi
Theranostics 7 (16), 4001, 2017
1132017
Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energy
X Wang, J Liu, JZH Zhang, X He
The Journal of Physical Chemistry A 117 (32), 7149-7161, 2013
1092013
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins
J Liu, T Zhu, X Wang, X He, JZH Zhang
Journal of chemical theory and computation 11 (12), 5897-5905, 2015
652015
Fragment quantum mechanical method for large-sized ion–water clusters
J Liu, LW Qi, JZH Zhang, X He
Journal of chemical theory and computation 13 (5), 2021-2034, 2017
612017
Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins
J Liu, JZH Zhang, X He
Physical Chemistry Chemical Physics 18 (3), 1864-1875, 2016
602016
Structure of liquid water–a dynamical mixture of tetrahedral and ‘ring-and-chain’like structures
J Liu, X He, JZH Zhang
Physical Chemistry Chemical Physics 19 (19), 11931-11936, 2017
562017
Calculation of protein–ligand binding affinities based on a fragment quantum mechanical method
Jinfeng Liu, Xianwei Wang, John Z. H. Zhang, Xiao He
RSC Advances 5 (129), 107020-107030, 2015
512015
Improving the scoring of protein–ligand binding affinity by including the effects of structural water and electronic polarization
J Liu, X He, JZH Zhang
Journal of chemical information and modeling 53 (6), 1306-1314, 2013
502013
Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21
J Liu, J Yang, XC Zeng, SS Xantheas, K Yagi, X He
Nature communications 12 (1), 6141, 2021
402021
An improved fragment-based quantum mechanical method for calculation of electrostatic solvation energy of proteins
X Jia, X Wang, J Liu, JZH Zhang, Y Mei, X He
The Journal of Chemical Physics 139 (21), 2013
392013
Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids
J Liu, X He
Physical Chemistry Chemical Physics 22 (22), 12341-12367, 2020
382020
Vibrational signatures of isomeric lithiated N-acetyl-D-hexosamines by gas-phase infrared multiple-photon dissociation (IRMPD) spectroscopy
Y Tan, N Zhao, J Liu, P Li, CN Stedwell, L Yu, NC Polfer
Journal of The American Society for Mass Spectrometry 28 (3), 539-550, 2017
362017
Predicting the phase diagram of solid carbon dioxide at high pressure from first principles
Y Han, J Liu, L Huang, X He, J Li
npj Quantum Materials 4 (1), 10, 2019
352019
Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method
J Liu, X He
Physical Chemistry Chemical Physics 19 (31), 20657-20666, 2017
352017
Structural–activity relationship of ginsenosides from steamed ginseng in the treatment of erectile dysfunction
A Ying, QT Yu, L Guo, WS Zhang, JF Liu, Y Li, H Song, P Li, LW Qi, YZ Ge, ...
The American Journal of Chinese Medicine 46 (01), 137-155, 2018
332018
Differential regulation of baicalin and scutellarin on AMPK and Akt in promoting adipose cell glucose disposal
LL Yang, N Xiao, J Liu, K Liu, B Liu, P Li, LW Qi
Biochimica et Biophysica Acta (BBA)-Molecular Basis of Disease 1863 (2), 598-606, 2017
332017
A coupled ionization-conformational equilibrium is required to understand the properties of ionizable residues in the hydrophobic interior of staphylococcal nuclease
J Liu, J Swails, JZH Zhang, X He, AE Roitberg
Journal of the American Chemical Society 140 (5), 1639-1648, 2018
282018
Effect of pterostilbene, a natural derivative of resveratrol, in the treatment of colorectal cancer through Top1/Tdp1-mediated DNA repair pathway
Y Zhang, Y Li, C Sun, X Chen, L Han, T Wang, J Liu, X Chen, D Zhao
Cancers 13 (16), 4002, 2021
242021
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