Ying Xiong

发表

Characterization of a catalytic ligand bridging metal ions in phosphodiesterases 4 and 5 by molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations.

Guang-Fu Yang, Chang-Guo Zhan, C. Zhan, 2006, Biophysical journal.

Understanding the structure-activity and structure-selectivity correlation of cyclic guanine derivatives as phosphodiesterase-5 inhibitors by molecular docking, CoMFA and CoMSIA analyses.

C. Zhan, Guangfu Yang, Ying Xiong, 2006, Bioorganic & medicinal chemistry.

Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.

C. Zhan, Junjun Liu, Xinyun Zhao, 2011, The journal of physical chemistry. B.

MAXIMUM BOND ORDER HYBRID ORBITAL CALCULATIONS OF' THE S˭O STRETCHING FREQUENCIES FOR SULPHURYL AND THIONYL COMPOUNDS

C. Zhan, Ying Xiong, 1999 .

Maximum bond order hybrid orbital calculations of C O bond stretching vibrational frequencies

C. Zhan, Xi Chen, Ying Xiong, 2000 .

Theoretical calculation of the binding free energies for pyruvate dehydrogenase E1 binding with ligands.

C. Zhan, Ying Xiong, Yongjiang Li, 2007, Bioorganic & medicinal chemistry letters.

Dynamic structures of phosphodiesterase‐5 active site by combined molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations

Ying Xiong, Chang-Guo Zhan, Hai-Ting Lu, 2008, J. Comput. Chem..

Theoretical studies of the transition-state structures and free energy barriers for base-catalyzed hydrolysis of amides.

C. Zhan, Ying Xiong, 2006, The journal of physical chemistry. A.

Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase‐catalyzed condensation reactions of α‐keto acids

Ying Xiong, Guangfu Yang, Chang-Guo Zhan, 2009, J. Comput. Chem..