-Qiang Cui Researcher Activity Profile

Research Author Detailed Information 

Qiang Cui Publication Rate By Year

Qiang Cui has published 1 paper(s) in 2005, 7 paper(s) in 2006, 11 paper(s) in 2007, 6 paper(s) in 2008, for a total of 25 research publications in total.

Qiang Q Cui Author Information

LAST NAME: cui

FIRST NAME: qiang

INITIALS: Q

AFFILIATION:

Papers

Qiang Cui's Publication Record

1. Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM framework. Year Published: 2007
2. Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes. Year Published: 2006
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, 1101 University Ave, Madison, Wisconsin 53706, USA.
3. Effects of temperature and salt concentration on the structural stability of human lymphotactin: insights from molecular simulations. Year Published: 2006
Department of Chemistry and Theoretical Chemistry Institute, Graduate Program in Biophysics, University of Wisconsin, Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
4. Optimization and evaluation of a coarse-grained model of protein motion using x-ray crystal data. Year Published: 2006
Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin, USA.
5. The use of a generalized born model for the analysis of protein conformational transitions: a comparative study with explicit solvent simulations for chemotaxis Y protein (CheY). Year Published: 2006
Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin, Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
6. Interpreting correlated motions using normal mode analysis. Year Published: 2006
Graduate Program in Biophysics, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
7. The temperature dependence of salt-protein association is sequence specific. Year Published: 2006
Graduate Program in Biophysics, University of Wisconsin, Madison, Wisconsin 53706, USA.
8. "Proton holes" in long-range proton transfer reactions in solution and enzymes: A theoretical analysis. Year Published: 2006
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Madison, Wisconsin 53706, USA.
9. Mechanochemical coupling in the myosin motor domain. II. Analysis of critical residues. Year Published: 2007
Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America.
10. Mechanochemical coupling in the myosin motor domain. I. Insights from equilibrium active-site simulations. Year Published: 2007
Department of Chemistry, University of Wisconsin, Madison, Wisconsin, United States of America.
11. Antibiotic binding to dizinc beta-lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT studies. Year Published: 2007
Department of Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, USA.
12. Activation mechanism of a signaling protein at atomic resolution from advanced computations. Year Published: 2007
Graduate program in Biophysics and Department of Chemistry and Theoretical Chemical Institute, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
13. Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies. Year Published: 2007
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA.
14. Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction. Year Published: 2007
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
15. The vibrational spectra of protonated water clusters: A benchmark for self-consistent-charge density-functional tight binding. Year Published: 2007
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Madison, Wisconsin 53706, USA.
16. Transfer of suppressor of cytokine signaling 3 by an oncolytic adenovirus induces potential antitumor activities in hepatocellular carcinoma. Year Published: 2008
Xinyuan Institute of Medicine and Biotechnology, School of Life Sciences, Zhejiang Sci-Tech University, Hangzhou, China.
17. Transfer of suppressor of cytokine signaling 3 by an oncolytic adenovirus induces potential antitumor activities in hepatocellular carcinoma. Year Published: 2008
Xinyuan Institute of Medicine and Biotechnology, School of Life Sciences, Zhejiang Sci-Tech University, Hangzhou, China.
18. Discovery and Mechanistic Study of Al(III)-Catalyzed Transamidation of Tertiary Amides. Year Published: 2008
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706.
19. Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction. Year Published: 2007
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
20. Discovery and mechanistic study of Al(III)-catalyzed transamidation of tertiary amides. Year Published: 2008
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, USA.
21. Hydrogen elimination from a hydroxycyclopentadienyl ruthenium(II) hydride: study of hydrogen activation in a ligand-metal bifunctional hydrogenation catalyst. Year Published: 2005
Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA. casey@chem.wisc.edu
22. The vibrational spectra of protonated water clusters: a benchmark for self-consistent-charge density-functional tight binding. Year Published: 2007
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Madison, Wisconsin 53706, USA. haibo@chem.wisc.edu
23. The vibrational spectra of protonated water clusters: a benchmark for self-consistent-charge density-functional tight binding. Year Published: 2007
Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin, Madison, Madison, Wisconsin 53706, USA. haibo@chem.wisc.edu
24. Proton transfer in carbonic anhydrase is controlled by electrostatics rather than the orientation of the acceptor. Year Published: 2008
Department of Chemistry and Program of Computation and Informatics in Biology and Medicine, University of Wisconsin, 1101 University Avenue, Madison, Wisconsin 53706, USA.
25. Does arginine remain protonated in the lipid membrane? Insights from microscopic pKa calculations. Year Published: 2008