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Items: 18

1.

Exploration of the Misfolding Mechanism of Transthyretin Monomer: Insights from Hybrid-Resolution Simulations and Markov State Model Analysis.

Zhou S, Cheng J, Yang T, Ma M, Zhang W, Yuan S, Lo GV, Dou Y.

Biomolecules. 2019 Dec 17;9(12). pii: E889. doi: 10.3390/biom9120889.

2.

Molecular Dynamics Simulation of Transmembrane Transport of Chloride Ions in Mutants of Channelrhodopsin.

Zhang W, Yang T, Zhou S, Cheng J, Yuan S, Lo GV, Dou Y.

Biomolecules. 2019 Dec 10;9(12). pii: E852. doi: 10.3390/biom9120852.

3.

Mesoscale Simulation to Study Constitutive Properties of TATB/F2314 PBX.

Ge S, Zhang W, Sang J, Yuan S, Lo GV, Dou Y.

Materials (Basel). 2019 Nov 16;12(22). pii: E3767. doi: 10.3390/ma12223767.

4.

Formation Mechanism of Ion Channel in Channelrhodopsin-2: Molecular Dynamics Simulation and Steering Molecular Dynamics Simulations.

Yang T, Zhang W, Cheng J, Nie Y, Xin Q, Yuan S, Dou Y.

Int J Mol Sci. 2019 Aug 2;20(15). pii: E3780. doi: 10.3390/ijms20153780.

5.

A Photophysical Deactivation Channel of Laser-Excited TATB Based on Semiclassical Dynamics Simulation and TD-DFT Calculation.

Zhang W, Sang J, Cheng J, Ge S, Yuan S, Lo GV, Dou Y.

Molecules. 2018 Jun 30;23(7). pii: E1593. doi: 10.3390/molecules23071593.

6.

Thymine dimer splitting in the T<>T-G trinucleotide model system: a semiclassical dynamics and TD-DFT study.

Yuan S, Shen Z, Zhang W, Dou Y, Lo GV.

Int J Biol Macromol. 2014 May;66:267-72. doi: 10.1016/j.ijbiomac.2014.02.046. Epub 2014 Feb 28.

PMID:
24589472
7.

Dynamics of laser-excited stacked adenines: semiclassical simulations.

Dou Y, Liu Z, Yuan S, Zhang W, Tang H, Zhao J, Fang W, Lo GV.

Int J Biol Macromol. 2013 Jan;52:358-67. doi: 10.1016/j.ijbiomac.2012.10.006. Epub 2012 Oct 17.

PMID:
23085136
8.

Detailed mechanism for photoinduced cytosine dimerization: a semiclassical dynamics simulation.

Yuan S, Zhang W, Liu L, Dou Y, Fang W, Lo GV.

J Phys Chem A. 2011 Nov 24;115(46):13291-7. doi: 10.1021/jp207550a. Epub 2011 Oct 28.

PMID:
21988470
9.

Laser induced C(60) cage opening studied by semiclassical dynamics simulation.

Tang H, Li H, Dou Y.

Int J Mol Sci. 2011 Jan 13;12(1):353-61. doi: 10.3390/ijms12010353.

10.

Photoinduced dissociation of cyclobutane thymine dimer studied by semiclassical dynamics simulation.

Dou Y, Xiong S, Wu W, Yuan S, Tang H.

J Photochem Photobiol B. 2010 Oct 5;101(1):31-6. doi: 10.1016/j.jphotobiol.2010.06.008. Epub 2010 Jun 30.

PMID:
20656502
11.

New implementations of MRCI in semiempirical frameworks.

Lei Y, Suo B, Dou Y, Wang Y, Wen Z.

J Comput Chem. 2010 Jun;31(8):1752-8. doi: 10.1002/jcc.21464.

PMID:
20087898
12.

Why does trans-azobenzene have a smaller isomerization yield for pi pi* excitation than for n pi* excitation?

Yuan S, Dou Y, Wu W, Hu Y, Zhao J.

J Phys Chem A. 2008 Dec 25;112(51):13326-34. doi: 10.1021/jp806227x.

PMID:
19053550
13.

Nonadiabatic simulation study of photoisomerization of azobenzene: detailed mechanism and load-resisting capacity.

Shao J, Lei Y, Wen Z, Dou Y, Wang Z.

J Chem Phys. 2008 Oct 28;129(16):164111. doi: 10.1063/1.3000008.

PMID:
19045251
14.

Detailed dynamics of the nonradiative deactivation of adenine: a semiclassical dynamics study.

Lei Y, Yuan S, Dou Y, Wang Y, Wen Z.

J Phys Chem A. 2008 Sep 18;112(37):8497-504. doi: 10.1021/jp802483b. Epub 2008 Aug 21.

PMID:
18714969
15.

[Carrier combination of tissue engineered bone by sodium alginate and xenograft bone and bone formation in vivo].

Sun L, Zhang B, Chen L, Tao J, Jiang J, Meng G, Dou Y, Xu J, Liu D, Hu Y.

Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2008 Jun;22(6):732-6. Chinese.

PMID:
18630575
16.

Detailed dynamics of the photodissociation of cyclobutane.

Dou Y, Lei Y, Li A, Wen Z, Torralva BR, Lo GV, Allen RE.

J Phys Chem A. 2007 Feb 15;111(6):1133-7. Epub 2007 Jan 25.

PMID:
17253665
17.

Comparison of clinical outcomes between two methods of posterior lumbar interbody fusion in adult spondylolisthesis.

Dou Y, Hao D, Wen S, He B.

Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2006 Jul;20(7):743-6.

PMID:
16892811
18.

Laser desorption and imaging of proteins from ice via UV femtosecond laser pulses.

Berry JI, Sun S, Dou Y, Wucher A, Winograd N.

Anal Chem. 2003 Oct 1;75(19):5146-51.

PMID:
14708789

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