Zhong-Zhi Yang

发表

Reaction mechanism of NO with hydrolysates of NAMI‐A: an MD simulation by combining the QM/MM(ABEEM) with the MD‐FEP method

Hui Li, Xin Zhao, Di Wang, 2018, J. Comput. Chem..

Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom.

Cui Liu, Dong-Xia Zhao, Li-Dong Gong, 2010, Journal of chemical theory and computation.

Atom-Bond Electronegativity Equalization Method and its Applications Based on Density Functional Theory

Chang-Sheng Wang, Zhong-Zhi Yang, Zhong-Zhi Yang, 2003 .

Atom−Bond Electronegativity Equalization Method. 1. Calculation of the Charge Distribution in Large Molecules

Chang-Sheng Wang, Zhong-Zhi Yang, Zhong-Zhi Yang, 1997 .

A new scheme for determining the intramolecular seven-membered ring N-H...O=C hydrogen-bonding energies of glycine and alanine peptides.

Yan Zhang, Chang-Sheng Wang, Kun Gao, 2005, The Journal of chemical physics.

Calculation of molecular energies by atom-bond electronegativity equalization method

Chang-Sheng Wang, Zhong-Zhi Yang, Zhong-Zhi Yang, 1998 .

A software tool for visualization of molecular face (VMF) by improving marching cubes algorithm

Dong-Xia Zhao, Zhong-Zhi Yang, Li Ma, 2014 .

General atom-bond electronegativity equalization method and its application in prediction of charge distributions in polypeptide

Zhong-Zhi Yang, Zhong-Zhi Yang, Yao Cong, 2000 .

ESTIMATION ON THE INTRAMOLECULAR 8- AND 12-MEMBERED RING N–H…O=C HYDROGEN BONDING ENERGIES IN β-PEPTIDES

Chang-Sheng Wang, Yan Zhang, Zhong-Zhi Yang, 2009 .