Dong-Xia Zhao - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 7 from 7

2019

Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP methodHui Li, Di Wang, Xin Zhao, Li-Nan Lu, Cui Liu, Li-Dong Gong, Dong-Xia Zhao, Zhong-Zhi Yang. jcc, 40(10):1141-1150, 2019. [doi]

2014

Valence state parameters of all transition metal atoms in metalloproteins - development of ABEEMσπ fluctuating charge force fieldZhong-Zhi Yang, Jian Jiang Wang, Dong-Xia Zhao. jcc, 35(23):1690-1706, 2014. [doi]

Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagramDong-Xia Zhao, Zhong-Zhi Yang. jcc, 35(13):965-977, 2014. [doi]

2013

On the stabilization of an irrigation channel with a cascade of 2 pools: A linearized caseDong-Xia Zhao, Jun-Min Wang. ascc 2013: 1-6 [doi]

2012

in situ in intra- and intermolecular multiple hydrogen bonds systemCui Liu, Dong-Xia Zhao, Zhong-Zhi Yang. jcc, 33(4):379-390, 2012. [doi]

2011

An estimation method of binding free energy in terms of ABEEMsigmapi/MM and continuum electrostatics fused into LIE methodShu-Ling Chen, Dong-Xia Zhao, Zhong-Zhi Yang. jcc, 32(2):338-348, 2011. [doi]

2005

Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic moleculesZhong-Zhi Yang, Li-Dong Gong, Dong-Xia Zhao, Ming-Bo Zhang. jcc, 26(1):35-47, 2005. [doi]

Sign in or sign up to see more results.

runs on WebDSL