Zhou Y - Search Results

1

Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.

Ke Z, Zhou Y, Hu P, Wang S, Xie D, Zhang Y. Ke Z, et al. Among authors: zhou y. J Phys Chem B. 2009 Sep 24;113(38):12750-8. doi: 10.1021/jp903173c. J Phys Chem B. 2009. PMID: 19507815 Free PMC article.

2

Intermolecular potential energy surface and rovibrational spectra of the He-N2O complex from ab initio calculations.

Zhou Y, Xie D. Zhou Y, et al. J Chem Phys. 2004 May 8;120(18):8575-81. doi: 10.1063/1.1697390. J Chem Phys. 2004. PMID: 15267784

3

Ab initio potential energy surface and rovibrational spectrum of Ar-HCCCN.

Zhou Y, Xie D. Zhou Y, et al. J Chem Phys. 2004 Aug 8;121(6):2630-5. doi: 10.1063/1.1769363. J Chem Phys. 2004. PMID: 15281862

4

Solvent effect on concertedness of the transition state in the hydrolysis of p-nitrophenyl acetate.

Xie D, Zhou Y, Xu D, Guo H. Xie D, et al. Among authors: zhou y. Org Lett. 2005 May 26;7(11):2093-5. doi: 10.1021/ol0502836. Org Lett. 2005. PMID: 15901142

5

Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne-HCCCN.

Zhou Y, Xie D. Zhou Y, et al. J Chem Phys. 2005 May 1;122(17):174312. doi: 10.1063/1.1888567. J Chem Phys. 2005. PMID: 15910037

6

Ab initio intermolecular potential-energy surface and microwave spectra for the Ne-OCS complex.

Zhu H, Zhou Y, Xie D. Zhu H, et al. Among authors: zhou y. J Chem Phys. 2005 Jun 15;122(23):234312. doi: 10.1063/1.1940608. J Chem Phys. 2005. PMID: 16008446

7

Antibiotic binding to monozinc CphA beta-lactamase from Aeromonas hydropila: quantum mechanical/molecular mechanical and density functional theory studies.

Xu D, Zhou Y, Xie D, Guo H. Xu D, et al. Among authors: zhou y. J Med Chem. 2005 Oct 20;48(21):6679-89. doi: 10.1021/jm0505112. J Med Chem. 2005. PMID: 16220984

8

Three-dimensional ab initio potential-energy surface and rovibrational spectra of the H2-Kr complex.

Zhou Y, Xie D. Zhou Y, et al. J Chem Phys. 2005 Oct 1;123(13):134323. doi: 10.1063/1.2042448. J Chem Phys. 2005. PMID: 16223304

9

A three-dimensional ab initio potential energy surface and predicted infrared spectra for the He-N2O complex.

Zhou Y, Xie D, Zhang DH. Zhou Y, et al. J Chem Phys. 2006 Apr 14;124(14):144317. doi: 10.1063/1.2189227. J Chem Phys. 2006. PMID: 16626206

10

A five-dimensional potential energy surface and predicted infrared spectra for the N2O-hydrogen complexes.

Zhou Y, Ran H, Xie D. Zhou Y, et al. J Chem Phys. 2006 Nov 7;125(17):174310. doi: 10.1063/1.2363992. J Chem Phys. 2006. PMID: 17100442

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