Ye Mei (梅晔)
Title
Cited by
Cited by
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
1622008
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
1112010
A new quantum method for electrostatic solvation energy of protein
Y Mei, C Ji, JZH Zhang
The Journal of chemical physics 125 (9), 094906, 2006
962006
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
852005
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
832010
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
732016
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 (3), 245-257, 2014
642014
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), 03B613, 2009
622009
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
592013
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
552009
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
552005
Some practical approaches to treating electrostatic polarization of proteins
C Ji, Y Mei
Accounts of chemical research 47 (9), 2795-2803, 2014
502014
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
502009
Quantum study of mutational effect in binding of efavirenz to HIV‐1 RT
Y Mei, X He, Y Xiang, DW Zhang, JZH Zhang
PROTEINS: Structure, Function, and Bioinformatics 59 (3), 489-495, 2005
492005
Polarization of intraprotein hydrogen bond is critical to thermal stability of short helix
Y Gao, X Lu, LL Duan, JZH Zhang, Y Mei
The Journal of Physical Chemistry B 116 (1), 549-554, 2012
422012
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
412007
A numerically stable restrained electrostatic potential charge fitting method
J Zeng, LL Duan, JZH Zhang, Y Mei
Journal of computational chemistry 34 (10), 847-853, 2013
382013
Quantum mechanical studies of residue-specific hydrophobic interactions in p53− MDM2 binding
Y Ding, Y Mei, JZH Zhang
The Journal of Physical Chemistry B 112 (36), 11396-11401, 2008
352008
Computation of hydration free energies using the multiple environment single system quantum mechanical/molecular mechanical method
G König, Y Mei, FC Pickard IV, AC Simmonett, BT Miller, JM Herbert, ...
Journal of chemical theory and computation 12 (1), 332-344, 2016
342016
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
312015
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Articles 1–20