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Ye Mei (梅晔)
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Year
Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pKa shifts for Asp26/Asp20 in thioredoxin
C Ji, Y Mei, JZH Zhang
Biophysical journal 95 (3), 1080-1088, 2008
1792008
Electrostatic polarization makes a substantial contribution to the free energy of avidin− biotin binding
Y Tong, Y Mei, YL Li, CG Ji, JZH Zhang
Journal of the American Chemical Society 132 (14), 5137-5142, 2010
1202010
Insight of MOF environment-dependent enzyme activity via MOFs-in-nanochannels configuration
J Guo, L Yang, Z Gao, C Zhao, Y Mei, YY Song
ACS Catalysis 10 (10), 5949-5958, 2020
1112020
A new quantum method for electrostatic solvation energy of protein
Y Mei, C Ji, JZH Zhang
The Journal of chemical physics 125 (9), 2006
1022006
Folding of a helix at room temperature is critically aided by electrostatic polarization of intraprotein hydrogen bonds
LL Duan, Y Mei, D Zhang, QG Zhang, JZH Zhang
Journal of the American Chemical Society 132 (32), 11159-11164, 2010
922010
Benchmarking the performance of time-dependent density functional theory methods on biochromophores
Y Shao, Y Mei, D Sundholm, VRI Kaila
Journal of chemical theory and computation 16 (1), 587-600, 2019
862019
Calculations of solvation free energy through energy reweighting from molecular mechanics to quantum mechanics
X Jia, M Wang, Y Shao, G Konig, BR Brooks, JZH Zhang, Y Mei
Journal of chemical theory and computation 12 (2), 499-511, 2016
862016
New method for direct linear-scaling calculation of electron density of proteins
Y Mei, DW Zhang, JZH Zhang
The Journal of Physical Chemistry A 109 (1), 2-5, 2005
862005
Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4
G König, FC Pickard, Y Mei, BR Brooks
Journal of computer-aided molecular design 28, 245-257, 2014
782014
Machine-learning-assisted free energy simulation of solution-phase and enzyme reactions
X Pan, J Yang, R Van, E Epifanovsky, J Ho, J Huang, J Pu, Y Mei, K Nam, ...
Journal of chemical theory and computation 17 (9), 5745-5758, 2021
722021
Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors
S Ren, J Zeng, Y Mei, JZH Zhang, SF Yan, J Fei, L Chen
Drug Metabolism and Disposition 41 (1), 60-71, 2013
722013
Intra-protein hydrogen bonding is dynamically stabilized by electronic polarization
LL Duan, Y Mei, QG Zhang, JZH Zhang
The Journal of chemical physics 130 (11), 2009
652009
Some practical approaches to treating electrostatic polarization of proteins
C Ji, Y Mei
Accounts of Chemical Research 47 (9), 2795-2803, 2014
632014
Simulation of NMR data reveals that proteins’ local structures are stabilized by electronic polarization
Y Tong, CG Ji, Y Mei, JZH Zhang
Journal of the American Chemical Society 131 (24), 8636-8641, 2009
602009
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanics accuracy via a semi-empirical reference potential. I. Weighted thermodynamics …
P Li, X Jia, X Pan, Y Shao, Y Mei
Journal of chemical theory and computation 14 (11), 5583-5596, 2018
592018
Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions
Y Mei, AC Simmonett, FC Pickard IV, RA DiStasio Jr, BR Brooks, Y Shao
The Journal of Physical Chemistry A 119 (22), 5865-5882, 2015
572015
Quantum computational analysis for drug resistance of HIV‐1 reverse transcriptase to nevirapine through point mutations
X He, Y Mei, Y Xiang, DW Zhang, JZH Zhang
Proteins: Structure, Function, and Bioinformatics 61 (2), 423-432, 2005
572005
Time-dependent density functional theory study of absorption spectra of metallocenes
YL Li, L Han, Y Mei, JZH Zhang
Chemical Physics Letters 482 (4-6), 217-222, 2009
542009
Quantum and molecular dynamics study for binding of macrocyclic inhibitors to human α-thrombin
EL Wu, Y Mei, KL Han, JZH Zhang
Biophysical journal 92 (12), 4244-4253, 2007
522007
The origin of the cooperativity in the streptavidin-biotin system: A computational investigation through molecular dynamics simulations
F Liu, JZH Zhang, Y Mei
Scientific reports 6 (1), 27190, 2016
512016
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Articles 1–20