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Results: 1 to 20 of 55

1.

Rapid measurement of free cyanide in liquor by ion chromatography with pulsed amperometric detection.

Wu W, Xiao Q, Zhang P, Ye M, Wan Y, Liang H.

Food Chem. 2015 Apr 1;172:681-4. doi: 10.1016/j.foodchem.2014.09.052. Epub 2014 Sep 17.

PMID:
25442607
[PubMed - in process]
2.

Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization Energies.

Sodt AJ, Mei Y, König G, Tao P, Steele RP, Brooks BR, Shao Y.

J Phys Chem A. 2014 Oct 30. [Epub ahead of print]

PMID:
25321186
[PubMed - as supplied by publisher]
3.

Molecular dynamics simulation of protein crystal with polarized protein-specific force field.

Li Y, Zhang JZ, Mei Y.

J Phys Chem B. 2014 Oct 30;118(43):12326-35. doi: 10.1021/jp503972j. Epub 2014 Oct 16.

PMID:
25285919
[PubMed - in process]
4.

Some practical approaches to treating electrostatic polarization of proteins.

Ji C, Mei Y.

Acc Chem Res. 2014 Sep 16;47(9):2795-803. doi: 10.1021/ar500094n. Epub 2014 Jun 2.

PMID:
24883956
[PubMed - in process]
5.

Implementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of myoglobin.

Lin B, Gao Y, Li Y, Zhang JZ, Mei Y.

J Mol Model. 2014 Apr;20(4):2189. doi: 10.1007/s00894-014-2189-5. Epub 2014 Mar 27.

PMID:
24671304
[PubMed - indexed for MEDLINE]
6.

Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4.

König G, Pickard FC 4th, Mei Y, Brooks BR.

J Comput Aided Mol Des. 2014 Mar;28(3):245-57. doi: 10.1007/s10822-014-9708-4. Epub 2014 Feb 7.

PMID:
24504703
[PubMed - indexed for MEDLINE]
7.

Accessing the applicability of polarized protein-specific charge in linear interaction energy analysis.

Jia X, Zeng J, Zhang JZ, Mei Y.

J Comput Chem. 2014 Apr 5;35(9):737-47. doi: 10.1002/jcc.23547. Epub 2014 Feb 5.

PMID:
24500844
[PubMed - indexed for MEDLINE]
8.

An improved fragment-based quantum mechanical method for calculation of electrostatic solvation energy of proteins.

Jia X, Wang X, Liu J, Zhang JZ, Mei Y, He X.

J Chem Phys. 2013 Dec 7;139(21):214104. doi: 10.1063/1.4833678.

PMID:
24320361
[PubMed - indexed for MEDLINE]
9.

Preparation of cell-embedded colloidosomes in an oil-in-water emulsion.

Gong Y, Zhu AM, Zhang QG, Ye ML, Wang HT, Liu QL.

ACS Appl Mater Interfaces. 2013 Nov 13;5(21):10682-9. doi: 10.1021/am402787x. Epub 2013 Oct 21.

PMID:
24144837
[PubMed - indexed for MEDLINE]
10.

The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study.

Lu X, Zeng J, Gao Y, Zhang JZ, Zhang D, Mei Y.

J Mol Model. 2013 Nov;19(11):4897-908. doi: 10.1007/s00894-013-1985-7. Epub 2013 Sep 17.

PMID:
24043543
[PubMed - indexed for MEDLINE]
11.

The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect.

Zeng J, Jia X, Zhang JZ, Mei Y.

J Comput Chem. 2013 Dec 5;34(31):2677-86. doi: 10.1002/jcc.23421. Epub 2013 Sep 2.

PMID:
24000160
[PubMed - indexed for MEDLINE]
12.

Equilibrium and folding simulations of NS4B H2 in pure water and water/2,2,2-trifluoroethanol mixed solvent: examination of solvation models.

Guo M, Mei Y.

J Mol Model. 2013 Sep;19(9):3931-9. doi: 10.1007/s00894-013-1933-6. Epub 2013 Jul 7.

PMID:
23832653
[PubMed - indexed for MEDLINE]
13.

A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implementation.

Li Y, Gao Y, Zhang X, Wang X, Mou L, Duan L, He X, Mei Y, Zhang JZ.

J Mol Model. 2013 Sep;19(9):3647-57. doi: 10.1007/s00894-013-1879-8. Epub 2013 Jun 14.

PMID:
23765039
[PubMed - indexed for MEDLINE]
14.

An implementation of hydrophobic force in implicit solvent molecular dynamics simulation for packed proteins.

Duan LL, Zhu T, Mei Y, Zhang QG, Tang B, Zhang JZ.

J Mol Model. 2013 Jun;19(6):2605-12. doi: 10.1007/s00894-013-1798-8. Epub 2013 Mar 12.

PMID:
23479281
[PubMed - indexed for MEDLINE]
15.

Assessing the accuracy of the general AMBER force field for 2,2,2-trifluoroethanol as solvent.

Jia X, Zhang JZ, Mei Y.

J Mol Model. 2013 Jun;19(6):2355-61. doi: 10.1007/s00894-013-1776-1. Epub 2013 Feb 10.

PMID:
23397068
[PubMed - indexed for MEDLINE]
16.

A numerically stable restrained electrostatic potential charge fitting method.

Zeng J, Duan L, Zhang JZ, Mei Y.

J Comput Chem. 2013 Apr 5;34(10):847-53. doi: 10.1002/jcc.23208. Epub 2012 Dec 28.

PMID:
23281029
[PubMed - indexed for MEDLINE]
17.

Patterns of brain activity distinguishing free and forced actions: contribution from sensory cortices.

Kostelecki W, Mei Y, Garcia Dominguez L, Pérez Velázquez JL.

Front Integr Neurosci. 2012 Sep 27;6:84. doi: 10.3389/fnint.2012.00084. eCollection 2012.

PMID:
23060760
[PubMed]
Free PMC Article
18.

Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.

Ren S, Zeng J, Mei Y, Zhang JZ, Yan SF, Fei J, Chen L.

Drug Metab Dispos. 2013 Jan;41(1):60-71. doi: 10.1124/dmd.112.048264. Epub 2012 Oct 2.

PMID:
23033255
[PubMed - indexed for MEDLINE]
Free Article
19.

Solvent effect on the folding dynamics and structure of E6-associated protein characterized from ab initio protein folding simulations.

Xu Z, Lazim R, Sun T, Mei Y, Zhang D.

J Chem Phys. 2012 Apr 7;136(13):135102. doi: 10.1063/1.3698164.

PMID:
22482589
[PubMed - indexed for MEDLINE]
20.

Electrostatic polarization is critical for the strong binding in streptavidin-biotin system.

Mei Y, Li YL, Zeng J, Zhang JZ.

J Comput Chem. 2012 Jun 5;33(15):1374-82. doi: 10.1002/jcc.22970. Epub 2012 Mar 30.

PMID:
22467070
[PubMed - indexed for MEDLINE]

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