Zhong-Zhi Yang

发表

Ab initio investigation of water clusters (H2O)n (n = 2–34)

Ping Qian, Wei-Hao Song, Li-nan Lu, 2010 .

Molecular dynamics simulations of LiCl association and NaCl association in water by means of ABEEM/MM

Xin Li, Zhong-Zhi Yang, Li-Dong Gong, 2008 .

AB INITIO AND DENSITY FUNCTIONAL THEORY STUDY ON THE GEOMETRIES, ENERGIES,AND VIBRATIONAL SPECTRA OF THE CONFORMATIONS OF 3-METHYL-3-PENTEN-2-ONE

Jinchun Xie, Zhong-Zhi Yang, Shucheng Xu, 1999 .

A model of atoms in molecules based on potential acting on one electron in a molecule: I. Partition and atomic charges obtained from ab initio calculations

Chao Zhang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2018 .

How the molecular face and the interaction vary as H atom approach H2 molecule

Zhong-Zhi Yang, Dong‐Xia Zhao, 2014, Theoretical Chemistry Accounts.

MOLECULAR FACE — A NOVEL MOLECULAR MODEL SHOWING BOTH MOLECULAR SPATIAL CONTOUR AND FRONTIER ELECTRON DENSITY

Zhong-Zhi Yang, Dong‐Xia Zhao, 2008 .

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.

Refined models of coordination between Al3+/Mg2+ and enzyme in molecular dynamics simulation in terms of ABEEM polarizable force field.

Cui Liu, Li-nan Lu, Zhong-Zhi Yang, 2022, Journal of molecular graphics & modelling.

Theoretical Investigation on Regioselectivities of Diels‐Alder Reactions by Conjugated Effect

Zhong-Zhi Yang, Dong‐Xia Zhao, Jian Zhao, 2020 .

Studies on hydrolysis mechanism of anticancer ruthenium drug ImH[trans-Ru(Im)2Cl4] via ABEEMσπ polarizable force field combined with QM and MD-FEP

Zhong-Zhi Yang, Dong‐Xia Zhao, Hui Li, 2017, Chemical Research in Chinese Universities.

Study on properties of liquid ammonia via molecular dynamics simulation based on ABEEMσπ polarisable force field

Shenmin Zhang, Chao Zhang, Zhong-Zhi Yang, 2017 .

Development of the ABEEMσπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes.

Cui Liu, Li-nan Lu, Zhong-Zhi Yang, 2017, Journal of chemical theory and computation.

Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides

Zhong-Zhi Yang, Dong‐Xia Zhao, Xiao Lin, 2016 .

Development of a method to accurately calculate the Dpb and quickly predict the strength of a chemical bond

Zhong-Zhi Yang, Dong‐Xia Zhao, Xia Du, 2013 .

An approximate approach to calculate the potential acting on an electron in a molecule and construct the molecular face

Zhong-Zhi Yang, Dong‐Xia Zhao, Xia Du, 2013 .

Local HSAB rationalization of diels–alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate

Zhong-Zhi Yang, Dong‐Xia Zhao, Zhenzhen Xu, 2013 .

Quick estimation of the Dpb for predicting the strength of chemical bond in situ

Zhong-Zhi Yang, Dong‐Xia Zhao, Xia Du, 2013 .

Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model.

Cui Liu, Zhong-Zhi Yang, Li-Dong Gong, 2011, The Journal of chemical physics.

Studies of a mispaired DNA recognized by a rhodium intercalator based on the ABEEMσπ/MM method

Fangfang Wang, Pin Yang, Zhong-Zhi Yang, 2011 .

Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics

Zhong-Zhi Yang, Li-Dong Gong, Chun-yang Yu, 2011 .

Molecular Dynamics Simulations of a β‐Hairpin Fragment of Protein G by Means of Atom‐Bond Electronegativity Equalization Method Fused into Molecular Mechanics (ABEEMδπ/MM)

Zhong-Zhi Yang, Shu-Ling Chen, 2010 .

Molecular-dynamics simulations of alkaline-earth metal cations in water by atom-bond electronegativity equalization method fused into molecular mechanics.

Xin Li, Zhong-Zhi Yang, 2005, The Journal of chemical physics.

The molecular intrinsic characteristic contours (MICCs) of some small organic molecules

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2003 .

Aggregation of glycerol induced by carbon nanotubes in aqueous solution and its influencing factors

Zhong-Zhi Yang, Dong‐Xia Zhao, Linlin Liu, 2015, Chemical Research in Chinese Universities.

Theory on the molecular characteristic contour (II) —— Molecular intrinsic characteristic contours of several typical organic molecules

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2005 .

Application of the ABEEM/MM model in studying the properties of the water clusters (H2O) n (n=7−10)

Ping Qian, Zhong-Zhi Yang, 2007 .

Atom–bond electronegativity equalization method. II. Lone-pair electron model

Zhong-Zhi Yang, Chang-Sheng Wang, 1999 .

Molecular electronegativity in density functional theory(VIII)

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

Molecular electronegativity in density functional theory (VI) * - Atom- bond electronegativity equalization model

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

Rationalization of regioselectivity of electrophilic substitution reaction for cyclic compounds in terms of Dpb values

Zhong-Zhi Yang, Dong‐Xia Zhao, Yang Liu, 2015 .

Exploration of the potential acting on an electron within diatomic molecules

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2002 .

Nucleophilic reactivity analysis: atom-bond electronegativity equalization method

Zhong-Zhi Yang, Yu-Hua Zhang, 2000 .

σπ Scheme in Atom‐bond Electronegativity Equalization Method

X. Bao, Zhong-Zhi Yang, Dong‐Xia Zhao, 2003 .

Study on structures and properties of ammonia clusters (NH3)n (n=1-5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model.

Zhong-Zhi Yang, Ling Yu, 2010, The Journal of chemical physics.

INSIGHT INTO MECHANISM OF FORMATION OF C8 ADDUCTS IN CARCINOGENIC REACTIONS OF ARYLNITRENIUM IONS WITH PURINE NUCLEOSIDES II: AB INITIO, DFT, AND ABEEM/MM-MD SIMULATION STUDIES OF CHEMICAL REACTIONS CONCERNING N9-SUBSTITUTED PURINE BASES WITH 4-BIPHENYLYLNITRENIUM ION

Zhong-Zhi Yang, Shi-Fei Qi, Xiao-Nan Wang, 2009 .

Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine

Cui Liu, Zhong-Zhi Yang, Xue Du, 2022, J. Comput. Chem..

Hydration of Li+ -ion in atom-bond electronegativity equalization method-7P water: a molecular dynamics simulation study.

Xin Li, Zhong-Zhi Yang, 2005, The Journal of chemical physics.

Insight into Markovnikov regioselectivity rule via molecular face and ABEEM-σπ theory

Zhong-Zhi Yang, Yan‐Li Ding, Ji-Rong Mu, 2011 .

Recent Development and Applications of the ABEEM/MM Polarizable Force Field

Zhong-Zhi Yang, Li-Dong Gong, Jing Zhang, 2022, Journal of Computational Biophysics and Chemistry.

Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM‐MO diagram

Zhong-Zhi Yang, Dong-Xia Zhao, Zhong-Zhi Yang, 2014, J. Comput. Chem..

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

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

Calculation of molecular energies by atom-bond electronegativity equalization method

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

Synthesis, structure and magnetism of a new imidazolate-bridged binuclear complex [Ni2(im)(phen)4]·(NO3)3·3H2O

L. Ye, Jing Jin, S. Niu, 2002 .

STRUCTURE AND MAGNETISM OF TETRA ACETATO BRIDGED BINUCLEAR NDIII COMPLEX

Bing-Ping Yang, S. Niu, Zhong-Zhi Yang, 1997 .

Systematic Parameterization and Simulation of Boronic Acids-β-Lactamase Aqueous Solution in Developing ABEEMσπ Polarizable Force Field.

Cui Liu, Li-nan Lu, Zhong-Zhi Yang, 2020, The journal of physical chemistry. A.

Synthesis, Crystal Structure, and Properties of a Binuclear Co(II)‐tpha Complex (tpha = Terephthalate Dianion)

Jing Jin, S. Niu, Zhong-Zhi Yang, 2004 .

Crystal structure and magnetism of the binuclear Gd(III) complex Gd2(C12H8N2)2(C6H5COO)6

Jing Jin, S. Niu, Zhong-Zhi Yang, 2000 .

A combined DFT and SCRF study of solvent effects on 4-methyl-3-penten-2-one

Jinchun Xie, Zhong-Zhi Yang, Shucheng Xu, 1999 .

Synthesis, structure and characterization of Gd(III) dimer bridged by tetra benzoates

Jing Jin, S. Niu, Zhong-Zhi Yang, 2002 .

Synthesis, Structure and Spectra of a Binuclear Sm(III) Complex: [Sm2(phen)2(C6H5COO)4(CH3COO)2]

Jing Jin, S. Niu, Zhong-Zhi Yang, 2000 .

Theoretical Investigation of the Stereoselectivity of Some Diels-Alder Reactions Involving Cyclopentadiene

Zhong-Zhi Yang, Dong‐Xia Zhao, Zhenzhen Xu, 2008 .

Crystal structure, magnetic and photoelectric properties of coordination polymer [CO2(C3H4N2)4(C10H2O8)]n

Jing Jin, S. Niu, Zhong-Zhi Yang, 2004 .

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..

A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM σπ molecular dynamics simulations

Guohui Li, Chao Zhang, Zhong-Zhi Yang, 2017 .

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 .

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.

Investigation of the regio- and stereoselectivity of Diels–Alder reactions by newly developed ABEEM σπ model on the basis of local HSAB principle and maximum hardness principle

X. Bao, Xianchun Liu, Zhong-Zhi Yang, 2002 .

Hydrothermal synthesis, crystal structure and magnetism of [Nd(C7H6NO2)3·H2O]n, a novel coordination polymer with three-dimensional network

L. Ye, Jing Jin, S. Niu, 2002 .

Molecular dynamics simulations of N-methylacetamide (NMA) in water by the ABEEM/MM model

Ping Qian, Li-nan Lu, Zhong-Zhi Yang, 2009 .

A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.

Ping Qian, Zhong-Zhi Yang, 2006, The Journal of chemical physics.

MOLECULAR DYNAMICS STUDIES ON Fe2+, Co2+, AND Ni2+ AQUEOUS SOLUTIONS BASED ON ABEEM/MM FLUCTUATING CHARGE MODEL

Zhong-Zhi Yang, Yan Han, Qing-Mei Guan, 2008 .

ABEEM/MM-BASED PAIR POTENTIAL FOR MOLECULAR DYNAMICS SIMULATION OF Fe2+(aq) AND Fe3+(aq)

Xin Li, Zhong-Zhi Yang, 2006 .

An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE method

Zhong-Zhi Yang, Dong-Xia Zhao, Shu-Ling Chen, 2011, J. Comput. Chem..

STUDY ON COMPLEXES OF TRYPSIN AND ITS INHIBITORS BY MEANS OF ATOM-BOND ELECTRONEGATIVITY EQUALIZATION METHOD FUSED INTO MOLECULAR MECHANICS (ABEEM/MM)

Zhong-Zhi Yang, Qing-Mei Guan, 2007 .

Valence state parameters of all transition metal atoms in metalloproteins—development of ABEEMσπ fluctuating charge force field

Zhong-Zhi Yang, Jian-Jiang Wang, Dong-Xia Zhao, 2014, J. Comput. Chem..

Theoretical study of hydrogen peroxide interacting with DNA base and DNA base pair in terms of ab initio method and ABEEMσπ/MM fluctuating charge potential model

Zhong-Zhi Yang, Chun-yang Yu, 2011 .

QM/MM(ABEEM) Study on the Ligand Substitution Processes of Ruthenium(III) Complex NAMI-A

Chao Zhang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2017 .

ABEEM/MM Models for OH-(H2O)n Clusters and Aqueous OH-: Structures, Charge Distributions, and Binding Energies.

Cui Liu, Li-nan Lu, Zhong-Zhi Yang, 2020, The journal of physical chemistry. A.

Theoretical Study of the Intramolecular Proton Transfer in the Tautomers of Cytosine Assisted by Water

Haitao Zheng, Zhong-Zhi Yang, Dong‐Xia Zhao, 2011 .

Evidence of direct formation of C8 adducts in carcinogenic reactions of arylnitrenium ions with purine nucleosides: Theoretical study of C8 deprotonation process

Xiao-hong Xu, Zhong-Zhi Yang, Shi-Fei Qi, 2011 .

An intrinsic criterion of defining ionic or covalent character of AB-type crystals based on the turning boundary radii calculated by an ab initio method

Le Zhang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2018 .

THE CHARACTERISTIC BOUNDARY RADII OF ATOMS

Zhong-Zhi Yang, Dong‐Xia Zhao, Ming-Bo Zhang, 2005 .

Evaluation of a characteristic atomic radius by an ab initio method

E. Davidson, Zhong-Zhi Yang, 1997 .

A theoretical study on mechanism of the anticancer drug camptothecin's E-ring-opening.

Zhong-Zhi Yang, Dong‐Xia Zhao, Hui-Yuan Zou, 2013, Journal of molecular graphics & modelling.

Direct evaluation of individual hydrogen bond energy in situ in intra‐ and intermolecular multiple hydrogen bonds system

Zhong-Zhi Yang, Dong-Xia Zhao, Cui Liu, 2012, J. Comput. Chem..

Theoretical studies on the hydration of formic acid by ab initio and ABEEMσπ fluctuating charge model

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2010 .

Structure and Phase Behavior of the Confined Water in Graphene Nanocapillaries Studied by ABEEMσπ Polarizable Force Field

Cui Liu, Li-nan Lu, Zhong-Zhi Yang, 2019, The Journal of Physical Chemistry C.

Polarizable TIP7P Water Model with the Perturbation Charges Evaluated from ABEEM.

H. Zhang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2020, The journal of physical chemistry. B.

Insight into markovnikov reactions of alkenes in terms of ab initio and molecular face theory.

Zhong-Zhi Yang, Dong‐Xia Zhao, Yan‐Li Ding, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Investigation of Markovnikov reactions of alkenes via ABEEM-σπ model

Zhong-Zhi Yang, Yan‐Li Ding, 2010 .

Theoretical Study on Co3+ in Aqueous Solution in Terms of ABEEM/MM Model

Zhong-Zhi Yang, Qing-Mei Guan, 2007 .

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

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

Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model

Ping Qian, Wei-Hao Song, Li-nan Lu, 2009 .

How does ammonia bind to the oxygen-evolving complex in the S2 state of photosynthetic water oxidation? Theoretical support and implications for the W1 substitution mechanism.

Cui Liu, Zhong-Zhi Yang, Li-Dong Gong, 2016, Physical chemistry chemical physics : PCCP.

STUDIES ON NUCLEOPHILIC SUBSTITUTION REACTIONS AT CARBON (SN2(C)) AND SILICON (SN2(Si)) IN TERMS OF AB INITIO, POTENTIAL, ACTING ON AN ELECTRON IN A MOLECULE AND MOLECULAR FACE THEORY

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2009 .

Water-Mediated Oxidation of Guanine by a Repair Enzyme: Simulation Using the ABEEM Polarizable Force Field.

Cui Liu, Zhong-Zhi Yang, Dong‐Xia Zhao, 2021, Journal of chemical theory and computation.

Investigation of base pairs containing oxidized guanine using ab initio method and ABEEMσπ polarizable force field.

Yang Wang, Cui Liu, Zhong-Zhi Yang, 2014, Journal of molecular graphics & modelling.

Theoretical studies of uracil–(H2O)n (n = 1–7) clusters by ab initio and ABEEMσπ/MM fluctuating charge model

Fangfang Wang, Zhong-Zhi Yang, Dong‐Xia Zhao, 2009 .

Theoretical investigation of boundary contours of ground-state atoms in uniform electric fields

Zhong-Zhi Yang, Dong‐Xia Zhao, Huang Shi, 2015 .

AN AB INITIO STUDY OF PROTON-TRANSFER REACTION IN Be2+(H2O)n AND THE SPATIAL CHANGING FEATURE IN THE FORMATION PROCESS OF HYDROXIDE

Xin Li, Zhong-Zhi Yang, 2006 .

Mg2+/Ca2+ binding to DNA bases: a quantum chemical method and ABEEMσπ/MM fluctuating charge model study

Zhong-Zhi Yang, Li-Dong Gong, Chun-yang Yu, 2012, Theoretical Chemistry Accounts.

Dividing the Periodic Box into Subdivisions with Their Surroundings to Accelerate Molecular Dynamics Simulation with High Accuracy.

Cui Liu, Zhong-Zhi Yang, Dong‐Xia Zhao, 2020, Journal of chemical theory and computation.

Theoretical exploration of the potential and force acting on one electron within a molecule.

Zhong-Zhi Yang, Dong‐Xia Zhao, 2014, The journal of physical chemistry. A.

Theoretical reflections on the structural polymorphism of the oxygen-evolving complex in the S2 state and the correlations to substrate water exchange and water oxidation mechanism in photosynthesis.

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2017, Biochimica et biophysica acta. Bioenergetics.

Investigation of the molecular surface area and volume: Defined and calculated by the molecular face theory

Zhong-Zhi Yang, Li-Dong Gong, Zhong-Zhi Yang, 2010, J. Comput. Chem..

Theoretical s tudy of enantioenriched aminohydroxylation of styrene catalyzed by an engineered hemoprotein

Zhong-Zhi Yang, Hong Huang, Dong‐Xia Zhao, 2021, Journal of Physical Organic Chemistry.

Seven-Site Effective Pair Potential for Simulating Liquid Water.

Zhong-Zhi Yang, Dong‐Xia Zhao, Chong-Li Zhao, 2019, The journal of physical chemistry. B.

Calculation of the linear response function by the atom-bond electronegativity equalization method (ABEEM)

Zhong-Zhi Yang, Chang-Sheng Wang, Dong‐Xia Zhao, 2000 .

Partitioning a Molecule into the Atomic Basins and the Resultant Atomic Charges from QCT Analysis of the Kohn-Sham Potential.

Zhong-Zhi Yang, Dong‐Xia Zhao, Jian Zhao, 2020, The journal of physical chemistry. A.

QCT analysis of molecules containing the first and second period elements based on the PAEM

Zhong-Zhi Yang, Dong‐Xia Zhao, Jian Zhao, 2019, Electronic Structure.

Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters.

Zhong-Zhi Yang, Dong‐Xia Zhao, Yang Wu, 2004, The Journal of chemical physics.

The open-cubane oxo-oxyl coupling mechanism dominates photosynthetic oxygen evolution: a comprehensive DFT investigation on O-O bond formation in the S4 state.

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2017, Physical chemistry chemical physics : PCCP.

Development of ABEEMσπ polarizable force field for oxidized adenine base pairs: investigation of the interaction and mutagenic mechanism

Yang Wang, Cui Liu, Zhong-Zhi Yang, 2014, Theoretical Chemistry Accounts.

A systemic investigation of hydrogen peroxide clusters (H2O2)n (n = 1-6) and liquid-state hydrogen peroxide: based on atom-bond electronegativity equalization method fused into molecular mechanics and molecular dynamics.

Zhong-Zhi Yang, Chun-yang Yu, 2011, The journal of physical chemistry. A.

Atomic Charge Calculation of Metallobiomolecules in Terms of the ABEEM Method.

Zhong-Zhi Yang, Baoqiu Cui, 2007, Journal of chemical theory and computation.

Study of lithium cation in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.

Xin Li, Zhong-Zhi Yang, 2005, The journal of physical chemistry. A.

Investigation of the hydrogen, halogen and pnicogen dimers by means of molecular face calculated by ab initio method

Zhong-Zhi Yang, Dong‐Xia Zhao, Jian Zhao, 2020, Theoretical Chemistry Accounts.

Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules

Zhong-Zhi Yang, Dong-Xia Zhao, Li-Dong Gong, 2005, J. Comput. Chem..

Molecular intrinsic characteristic contours of small organic molecules containing oxygen atom

Zhong-Zhi Yang, Li-Dong Gong, Dong‐Xia Zhao, 2003 .

Polarization and bonding of the intrinsic characteristic contours of hydrogen and fluorine atoms of forming a hydrogen fluoride molecule based on an ab initio study.

Zhong-Zhi Yang, Dong‐Xia Zhao, Yang Wu, 2004, The Journal of chemical physics.

The changing features of the molecular intrinsic characteristic contours of H2 molecule in the ground and first excited states calculated by an ab initio method

Zhong-Zhi Yang, Dong Zhao, 2002 .

Theoretical study on characteristic ionic radii

Zhong-Zhi Yang, Dong‐Xia Zhao, Guohui Li, 1998 .

A characteristic molecular contour evaluated by a theoretical method

Zhong-Zhi Yang, Dong‐Xia Zhao, 1998 .

Search of the conformations of Val-dipeptide and Val-tripeptide by ab initio method and ABEEMσπ polarizable force field

Shuang-yong Xu, Cui Liu, Zhong-Zhi Yang, 2015 .

Study of peptide conformation in terms of the ABEEM/MM method

Qiang Zhang, Zhong-Zhi Yang, Zhong-Zhi Yang, 2006, J. Comput. Chem..

Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.

Xin Li, Zhong-Zhi Yang, 2005, The journal of physical chemistry. A.

Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics. II. A Seven-Site Fluctuating Charge and Flexible Body Water Potential Function for Liquid Water

Zhong-Zhi Yang, Yang Wu, 2004 .

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 .

Reversible folding/unfolding of small a-helix in explicit solvent investigated by ABEEMσπ/MM

Cui Liu, Zhong-Zhi Yang, 2009 .

Morphological transition difference of linear and cyclic block copolymer with polymer blending in a selective solvent by combining dissipative particle dynamics and all-atom molecular dynamics simulations based on the ABEEM polarizable force field

Cui Liu, Zhong-Zhi Yang, Li-Dong Gong, 2014 .

An investigation of alkane conformations based on the ABEEM/MM model

Zhong-Zhi Yang, Qiang Zhang, 2005 .

ABEEMσπ FLUCTUATING CHARGE FORCE FIELD APPLIED TO ALANINE DIPEPTIDE AND ALANINE DIPEPTIDE–WATER SYSTEMS

Cui Liu, Zhong-Zhi Yang, Dong‐Xia Zhao, 2010 .

MOLECULAR DYNAMICS STUDIES OF CRAMBIN AND BPTI IN TERMS OF ABEEM/MM METHOD

Zhong-Zhi Yang, Dong‐Xia Zhao, Qing-Mei Guan, 2008 .

Direct evaluation of individual hydrogen bond energy in situ in intra‐ and intermolecular multiple hydrogen bonds system

Cui Liu, Zhong-Zhi Yang, Dong‐Xia Zhao, 2012, J. Comput. Chem..

An investigation of crambin and BPTI based on ABEEM/MM model

Zhong-Zhi Yang, Dong‐Xia Zhao, Qing-Mei Guan, 2007 .

Dynamic Simulations of the Hydrogen-bondings on the Proximal Side of the Heme in Terms of the ABEEM/MM Method

Zhong-Zhi Yang, Baoqiu Cui, 2007 .

Theory on the molecular characteristic contour(I)——A new approach to defining molecular characteristic contour

Zhong-Zhi Yang, Dong‐Xia Zhao, 1999 .