Title: A Transferable Nonbonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins Author(s): Wu, RB; Lu, ZY; Cao, ZX; et al. Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 2 Pages: 433-443 Published: FEB 2011 Times Cited: 0 DOI: 10.1021/ct100525r
added
05-Mar-11
2.
Title: Ab Initio QM/MM Free-Energy Studies of Arginine Deiminase Catalysis: The Protonation State of the Cys Nucleophile Author(s): Ke, ZH; Guo, H; Xie, DQ; et al. Source: Journal of Physical Chemistry B Volume: 115 Issue: 13 Pages: 3725-3733 Published: 2011 Times Cited: 3 DOI: 10.1021/jp200843s
added
16-Apr-11
3.
Title: Molecular Mechanism for Eliminylation, a Newly Discovered Post-Translational Modification Author(s): Ke, Zhihong; Smith, Gregory K.; Zhang, Yingkai; et al. Source: Journal of the American Chemical Society Volume: 133 Issue: 29 Pages: 11103-11105 Published: JUL 27 2011 Times Cited: 0 DOI: 10.1021/ja204378q
added
04-Sep-11
4.
Title: Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediate Author(s): Zhou, YZ; Zhang, YK Source: Chemical Communications Volume: 47 Issue: 5 Pages: 1577-1579 Published: 2011 Times Cited: 1 DOI: 10.1039/c0cc04112b
added
21-Feb-11
5.
Title: Zinc Chelation with Hydroxamate in Histone Deacetylases Modulated by Water Access to the Linker Binding Channel Author(s): Wu, Ruibo; Lu, Zhenyu; Cao, Zexing; et al. Source: Journal of the American Chemical Society Volume: 133 Issue: 16 Pages: 6110-6113 Published: APR 27 2011 Times Cited: 0 DOI: 10.1021/ja111104p
added
10-Aug-11
6.
Title: A Proton-Shuttle Reaction Mechanism for Histone Deacetylase 8 and the Catalytic Role of Metal Ions Author(s): WU, RB; WANG, SL; ZHOU, NJ; et al. Source: Journal of the American Chemical Society Volume: 132 Issue: 27 Pages: 9471-9479 Published: JUL 14 2010 Times Cited: 9 DOI: 10.1021/ja103932d
added
30-Jul-10
7.
Title: Base Flipping Free Energy Profiles for Damaged and Undamaged DNA Author(s): Zheng, H; Cai, YQ; Ding, SA; et al. Source: Chemical Research in Toxicology Volume: 23 Issue: 12 Pages: 1868-1870 Published: 2010 Times Cited: 2 DOI: 10.1021/tx1003613
added
21-Feb-11
8.
Title: Catalytic Reaction Mechanism of Acetylcholinesterase Determined by Born-Oppenheimer Ab Initio QM/MM Molecular Dynamics Simulations Author(s): ZHOU, YZ; WANG, SL; ZHANG, YK Source: Journal of Physical Chemistry B Volume: 114 Issue: 26 Pages: 8817-8825 Published: JUL 8 2010 Times Cited: 7 DOI: 10.1021/jp104258d
added
18-Jul-10
9.
Title: Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab Initio QM/MM Molecular Dynamics Study Author(s): Wu, R. B.; Hu, P.; Wang, S. L.; et al. Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 1 Pages: 337-343 Published: 2010 Times Cited: 7 DOI: 10.1021/ct9005322
added
20-Nov-11
10.
Title: Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling Author(s): Xie, HB; Zhou, YZ; Zhang, YK; et al. Source: Journal of Physical Chemistry a Volume: 114 Issue: 43 Pages: 11844-11852 Published: 2010 Times Cited: 6 DOI: 10.1021/jp107516k
