K. Zheng

发表

Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y12 by 3D-QSAR, docking and molecular dynamics simulations

Wenjuan Wu, Shengfu Zhou, Danqing Fang, 2017, Journal of biomolecular structure & dynamics.

QSAR AND MOLECULAR DESIGN OF BENZO[B]ACRONYCINE DERIVATIVES AS ANTITUMOR AGENTS

K. Zheng, Wen Juan Wu, J. Chen, 2007 .

Synthesis, characterization, structures and DNA-binding properties of complexes [Ru(bpy)2(L)]2+ (L = ptdb, ptda and ptdp) with asymmetric intercalative ligands

L. Ji, H. Chao, K. Zheng, 2005 .

Theoretical and experimental studies on electron transfer among complexes [M(phen)3]2+ [M=Os(II), Ru(II), Co(III) and Zn(II)] binding to DNA

L. Ji, H. Chao, K. Zheng, 2003 .

Theoretical studies on DNA-binding, DNA-photocleavage and spectral properties of Co(III) complexes [Co(phen)2(L)]3+ (L = pip, hpip, hnaip)

L. Ji, K. Zheng, Jun Li, 2010 .

Electronic structures, DNA-binding and spectral properties of Co(III) complexes [Co(bpy)2(L)]3+ (L=pip, odhip, hnoip).

L. Ji, K. Zheng, Li Qian, 2009, Biophysical chemistry.

Effect of ancillary ligands on the electronic structures, DNA-binding and spectral properties of [Co(L)2(pip)]3+ (L = phen, bpy, en, tap)

L. Ji, K. Zheng, Hai-Liang Lu, 2008 .

Binding Mechanism and Molecular Design of Benzimidazole/Benzothiazole Derivatives as Potent Abl T315I Mutant Inhibitors

Wenjuan Wu, Shengfu Zhou, Shepei Tan, 2017 .

A novel perchlorate-bridged tetranuclear zinc(II) structure with tris(2-aminoethyl)amine ligand

Zhongyuan Zhou, Xiao‐Ming Chen, Z. Mao, 2004 .

Study of novel pyrazolo[3,4-d]pyrimidine derivatives as selective TgCDPK1 inhibitors: molecular docking, structure-based 3D-QSAR and molecular dynamics simulation

Rong Zhang, Wenjuan Wu, Shengfu Zhou, 2016 .

A QSAR study and molecular design of benzothiazole derivatives as potent anticancer agents

Yong Shen, K. Zheng, Li Qian, 2008 .

Directionality and site selectivity of N⋯Cl halogen bonding in two azaaromatic chloride crystals

Yi-min Zhu, W. Wong, K. Zheng, 2010 .

QSAR Studies on a Series of 7,8‐Dialkyl‐1,3‐diaminopyrrolo‐[3,2‐f]quinazolines with Anticancer Activity

Yong Shen, K. Zheng, Li Qian, 2006 .

Experimental and DFT studies on DNA binding and photocleavage of two cationic porphyrins. Effects of the introduction of a carboxyphenyl into pyridinium porphyrin.

Liancai Xu, L. Ji, K. Zheng, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Tricationic pyridium porphyrins appending different peripheral substituents: experimental and DFT studies on their interactions with DNA.

Liancai Xu, L. Ji, K. Zheng, 2008, Biophysical chemistry.

Theoretical studies on pyrimidine substituent derivatives as dual inhibitors of AP-1 and NF-κB

Yong Shen, K. Zheng, Li Qian, 2010, Journal of molecular modeling.

Synthesis and structure of new dicopper(II) complexes bridged by N-(2-hydroxy-5-methylphenyl)-N'-[3-(dimethylamino)propyl]oxamide with in vitro anticancer activity: A comparative study of reactivities towards DNA/protein by molecular docking and experimental assays.

K. Zheng, Mei-Xing Yan, Yan-Tuan Li, 2016, European journal of medicinal chemistry.

Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.

Wenjuan Wu, Danqing Fang, Shepei Tan, 2015, Molecular bioSystems.

Effects of substituent on the DNA-binding of ruthenium(II) complexes containing asymmetric tridentate intercalative ligands

K. Zheng, Yunjun Liu, Jin-Can Chen, 2009 .

Experimental and Density-Functional-Theory (DFT) Studies on the DNA-Binding Trend and Spectral Properties of the Ruthenium Complexes [Ru(4,7-dmp)(bdip)]2+ and [Ru(bpy)2(bdip)]2+ (4,7-dmp=4,7-Dimethyl-1,10-phenanthroline, bdip=2-(1,3-Benzodioxol-4-yl)-1H-imidazo[4,5-f] [1,10]phenanthroline, bpy=2,2′-

S. Zhang, Fang Wang, L. Ji, 2007 .

Effects of the substitution positions of Br group in intercalative ligand on the DNA-binding behaviors of Ru(II) polypyridyl complexes.

Hong Li, L. Ji, K. Zheng, 2004, Journal of inorganic biochemistry.

Effects of the ancillary ligands of polypyridyl ruthenium(II) complexes on the DNA-binding behaviors

Qianling Zhang, L. Ji, K. Zheng, 2003 .

Effects of ligand planarity on the interaction of polypyridyl Ru(II) complexes with DNA

Yi-zhi Li, Hong Li, L. Ji, 2003 .

DFT studies on the molecular orbitals and related properties of [Ru(phen)2(9,9′-2R-dpq)]2+(R=NH2,OH,H and F)

L. Ji, K. Zheng, Xuewen Liu, 2003 .

Synthesis and structure of a new trinuclear nickel(II) complex bridged by N‐[3‐(Dimethylamino)propyl]‐N′‐(2‐hydroxyphenyl)oxamido: in vitro anticancer activities, and reactivities toward DNA and protein

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2017, Journal of biochemical and molecular toxicology.

Synthesis and structure elucidation of new μ-oxamido-bridged dicopper(II) complexes showing in vitro anticancer activity: Evaluation of DNA/protein-binding properties by experiment and molecular docking.

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2016, Journal of inorganic biochemistry.

A theoretical study on the substituent effect of DNA-photocleavage by [Ru(phen) 2(6-R-dppz)] 2+ (R =

Liancai Xu, L. Ji, Qian-Shu Li, 2010 .

QSAR, action mechanism and molecular design of flavone and isoflavone derivatives with cytotoxicity against HeLa.

Yong Shen, K. Zheng, J. Chen, 2008, European journal of medicinal chemistry.

Studies on the effects on growth and antioxidant responses of two marine microalgal species to uniconazole

K. Zheng, X. Mei, Yan-Tuan Li, 2014, Journal of Ocean University of China.

Synthesis, DNA-binding and spectral properties of novel complexes [RuL2(idpq)]2+ (L = bpy, phen) with embedded CO

Liancai Xu, Hong Li, L. Ji, 2009 .

Experimental and Theoretical Studies on DNA-Binding and Spectral Properties of'Light Switch' Complexes [Ru(L)2(ppn)]2+ (L=2,2'-Bipyridine and 1,10-Phenanthroline; ppn =Pteridino[6,7-f] [1,10]phenanthroline-11,13-diamine)

Hong Li, L. Ji, K. Zheng, 2008 .

Synthesis, characterization and DNA-binding of novel chiral complexes Δ- and Λ-[Ru(bpy)2L]2+ (L = o-mopip and p-mopip)

L. Ji, Cai-Ping Tan, Shuo Shi, 2006 .

Synthesis, characterization, DNA-binding and photocleavage of complexes [Ru(phen)2(6-OH-dppz)]2+ and [Ru(phen)2(6-NO2-dppz)]2+.

Hong Li, L. Ji, H. Chao, 2005, Journal of inorganic biochemistry.

Experimental and DFT studies on the DNA-binding trend and spectral properties of complexes [Ru(bpy)2L]2+ (L = dmdpq, dpq, and dcdpq)

L. Ji, Z. Mao, K. Zheng, 2005 .

Electronic structures, DNA-binding and related properties of complexes [Ru(bpy)2L]2+ (L=ip, pip, hpip)

Hong Li, L. Ji, H. Chao, 2004 .

Electronic effects on the interactions of complexes [Ru(phen)2(p-L)]2+ (L=MOPIP, HPIP, and NPIP) with DNA

L. Ji, H. Chao, Li Lin, 2004 .

Experimental and theoretical study on DNA-binding and photocleavage properties of chiral complexes Δ- and Λ-[Ru(bpy)2L](L =o-hpip, m-hpip and p-hpip)

An-Xing Li, L. Ji, H. Chao, 2003 .

2D and 3D‐QSAR studies on antiproliferative thiazolidine analogs

K. Zheng, Hai-Liang Lu, J. Chen, 2008 .

A Combined 2D- and 3D-QSAR Study on Analogues of ARC-111 with Antitumor Activity

Yong Shen, K. Zheng, Hai-Liang Lu, 2008 .

QSAR AND ACTION MECHANISM OF TROXACITABINE PRODRUGS WITH ANTITUMOR ACTIVITY

Liancai Xu, K. Zheng, Li Qian, 2007 .

Electronic effect of different positions of the -NO2 group on the DNA-intercalator of chiral complexes [Ru(bpy)2L]2+ (L =o-npip, m-npip and p-npip).

Jun Yu Li, L. Ji, Cai-Ping Tan, 2005, Dalton transactions.

A DFT STUDY ON THE HYDROLYSIS MECHANISM OF THE NAMI-A-TYPE ANTITUMOR COMPLEX (HL)[trans-RUCl4L(dmso-S)](L=4-amino-1,2,4-triazole)

K. Zheng, J. Chen, Siyan Liao, 2011 .

Hydrolysis Mechanism of the NAMI-A-type Antitumor Complex (HL)[trans-RuCl4L(dmso-S)] (L=1-methyl-1,2,4-triazole)

K. Zheng, Siyan Liao, Lanmei Chen, 2011 .

A DFT study on the hydrolysis mechanism of the potential antitumor Ru(III) complex TzNAMI

L. Ji, K. Zheng, Siyan Liao, 2009 .

Synthesis and structure of a new ternary monocopper(II) complex containing mixed ligands of 2,2′-diamino-4,4′-bithiazole and picrate: in vitro anticancer activity, molecular docking and reactivity towards DNA

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2016 .

DFT/TDDFT studies on electronic absorption and emission spectra of [Ru(bpy)2(L)]2+ (L = pip, o-mopip and p-mopip) in aqueous solution

Liancai Xu, L. Ji, Shuo Shi, 2008 .

Extended network via hydrogen bond linkages of zig-zag co-ordination chains [{Cu2(trans-oxen)(µ-OH)(µ-H2O)}n]n+ or [Cu2(trans-oxen)(µ-OCN)2]n [H2oxen = N,N′-bis(2-aminoethyl)oxamide]

K. Zheng, H. Cai, Huaxin Zhang, 1998 .

Cyclobutene photochemistry. 7. Partial orbital symmetry control in the photochemical ring opening of a constrained cyclobutene

W. Leigh, K. Zheng, 1991 .

Anion-selective interaction and colorimeter by an optical metalloreceptor based on ruthenium(II) 2,2'-biimidazole: hydrogen bonding and proton transfer.

K. Zheng, Yong-Rui Zhong, B. Ye, 2007, Inorganic chemistry.

Docking and molecular dynamics studies of the binding between Peloruside A and tubulin

K. Zheng, Siyan Liao, Jin-Can Chen, 2014, Journal of enzyme inhibition and medicinal chemistry.

Probing DNA photocleavage efficiencies of Ru(II) polypyridyl complexes: Theoretical calculation of redox potentials

Shuang-Bao Li, K. Zheng, Ti-fang Miao, 2013 .

Theoretical studies on the spectral and DNA-photocleavage properties of Co(III) and Ru(II) polypyridyl complexes

K. Zheng, Jun Li, Ti-fang Miao, 2010 .

Experimental and theoretical studies on the DNA-binding and spectral properties of water-soluble complex [Ru(MeIm) 4 (dpq)] 2+

L. Ji, Cai-Ping Tan, Shuo Shi, 2008 .

Synthesis, characterization, DNA-binding and spectral properties of complexes [Ru(L)4(dppz)]2+ (L=Im and MeIm).

L. Ji, Cai-Ping Tan, Shuo Shi, 2008, Journal of inorganic biochemistry.

Effect of electric field on the microcosmic properties of cation compound containing 2,2,6,6-tetramethyl-1-piperidinyloxy and imidazole unit

K. Zheng, Guoqiang Yin, Shu Mao, 2014, Journal of Molecular Modeling.

Theoretical Studies of QSAR and Molecular Design on a Novel Series of Ethynyl‐3‐Quinolinecarbonitriles as Src Inhibitors

Rong Zhang, Wenjuan Wu, Danqing Fang, 2012, Chemical biology & drug design.

A DFT/TDDFT study on the structures, trend in DNA-binding and spectral properties of molecular “light switch” complexes [Ru(phen)2(L)]2+(L = dppz, taptp, phehat)

Liancai Xu, L. Ji, K. Zheng, 2007 .

Experimental and DFT Studies on the DNA-binding Properties of Ruthenium(II) Complexes [Ru(phen)2L]2+(L = o-MOP, o-MP, o-CP and o-NP)

L. Ji, Jun-hua Yao, K. Zheng, 2006 .

Synthesis, characterization and DNA-binding properties of mixed porphyrin–polypyridyl ruthenium(II) complexes

L. Ji, K. Zheng, Jun Li, 2005 .

Studies on effects of di-F-substitution sites in main ligand of [Ru(bpy)2(dpq)]2+ with DFT method

Yong Shen, K. Zheng, Xuewen Liu, 2002 .

Theoretical studies on the electronic structures and related properties of [Ru(L)3]2+ (L=bpy, bpm, bpz) with DFT method

K. Zheng, Xuewen Liu, Fengcun Yun, 2002 .

Studies on electronic structures and related properties of [Ru(bpy)2(dpq)]2+ and its 9,9'-substituted derivates with DFT method

Yong Shen, K. Zheng, Fengcun Yun, 2002 .

Synthesis, DNA‐Binding and Photocleavage Studies of the Ruthenium(II) Complexes [Ru(phen)2(ppd)]2+ and [Ru(phen)(ppd)2]2+ (ppd=Pteridino[6,7‐f] [1,10]phenanthroline‐11,13(10H,12H)‐dione, phen=1,10‐Phenanthroline)

L. Ji, H. Chao, K. Zheng, 2008 .

Synthesis and structure of a 1-D copper(II) coordination polymer bridged both by oxamido and carboxylate: in vitro anticancer activity and reactivity toward DNA and protein BSA

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2015 .

Mechanistic and selectivity investigations into Fe-catalyzed 2, 3-disubstituted azaindole formation from β,β-disubstituted tetrazole

K. Zheng, Li Qian, Juping Wang, 2022, Molecular Catalysis.

3D-QSAR and molecular docking studies of aminopyrimidine derivatives as novel three-targeted Lck/Src/KDR inhibitors

Zhifang Liu, Wenjuan Wu, Danqing Fang, 2019, Journal of Molecular Structure.

Synthesis and structure of new tetracopper(II) complexes with N-benzoate-N'-[3-(diethylamino)propyl]oxamide as a bridging ligand: The influence of hydrophobicity on enhanced DNA/BSA-binding and anticancer activity.

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2016, Journal of photochemistry and photobiology. B, Biology.

Synthesis and structure elucidation of new μ-oxamido-bridged dicopper(II) complex with in vitro anticancer activity: A combined study from experiment verification and docking calculation on DNA/protein-binding property.

K. Zheng, Lingui Zhu, Yan-Tuan Li, 2016, Journal of photochemistry and photobiology. B, Biology.

Synthesis and crystal structure of new dicopper(II) complexes having asymmetric N,N'-bis(substituted)oxamides with DNA/protein binding ability: In vitro anticancer activity and molecular docking studies.

K. Zheng, Lingui Zhu, Yan-Tuan Li, 2015, Journal of photochemistry and photobiology. B, Biology.

Synthesis and structure of new dicopper(II) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2015 .

Synthesis, structure and molecular docking studies of dicopper(II) complexes bridged by N-phenolato-N′-[2-(dimethylamino)ethyl]oxamide: the influence of terminal ligands on cytotoxicity and reactivity towards DNA and protein BSA

Xiaoming Xu, K. Zheng, Yan-Tuan Li, 2014 .

Synthesis and crystal structure of a ternary copper(II) complex of 2,2′-bipyridine and picrate: Molecular docking, reactivity towards DNA and in vitro anticancer activity

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2014 .

Synthesis and structure of a new mononuclear copper(II) complex with 2,2ʹ-bipyridine and picrate: molecular docking, DNA-binding, and in vitro anticancer activity

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2014 .

Synthesis, structure, and DNA-binding studies of a dicopper(II) complex with N-phenolato-N′-[2-(dimethylamino) ethyl]oxamide as ligand

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2011 .

A QSAR study of substituted benzo[a]phenazines as potential anticancer agents

Wenjuan Wu, K. Zheng, Li Qian, 2005 .

Synthesis and Structure of a New Copper(II) Coordination Polymer Alternately Bridged by Oxamido and Carboxylate Groups: Evaluation of DNA/BSA Binding and Cytotoxic Activities

K. Zheng, Xiaodong Jin, Yan-Tuan Li, 2015, Journal of biochemical and molecular toxicology.

CoMFA and docking studies of 2-phenylindole derivatives with anticancer activity.

K. Zheng, Hai-Liang Lu, Li Qian, 2009, European journal of medicinal chemistry.

Synthesis, antitumor activity and structure-activity relationships of a series of Ru(II) complexes.

Wen-jie Zheng, L. Ji, Cai-Ping Tan, 2008, Journal of inorganic biochemistry.

Synthesis, Characterization, and DNA‐Binding Properties of the Chiral Ruthenium(II) Complexes Δ‐ and Λ‐[Ru(bpy)2(dmppd)]2+ (dmppd = 10,12‐Dimethylpteridino[6,7‐f] [1,10]phenanthroline‐11,13(10H,12H)‐dione; bpy = 2,2′‐Bipyridine)

Liancai Xu, L. Ji, H. Chao, 2007 .

Theoretical Study on Ir-Catalyzed α-Amidation of 2-Acylimidazoles: Mechanism and Insertion Selectivity

K. Zheng, Juping Wang, Zi-Hui Lin, 2022, Organometallics.

Two-Dimensional Sheets of Rugged Hexagonal Grids of [Cu(6)(trans-oxen)(3)(&mgr;(3)-OH)(2)(H(2)O)(2)](n)()(4)(n)()(+) with Copper(II) Bridged by trans-Oxamidate (oxen) and &mgr;(3)-OH(-) Groups.

C. Su, Zhongyuan Zhou, K. Zheng, 1998, Inorganic chemistry.

Theoretical studies on the related properties of Co(III) polypyridyl complexes interacting with DNA.

Shuang-Bao Li, K. Zheng, Jun Li, 2012, Journal of inorganic biochemistry.

Theoretical studies on the DNA-intercalator properties of Co(III) polypyridyl complexes

Liancai Xu, Shuang-Bao Li, K. Zheng, 2011 .

CYCLOBUTENE PHOTOCHEMISTRY. ADIABATIC PHOTOCHEMICAL RING OPENING OF ALKYLCYCLOBUTENES

W. Leigh, K. Zheng, J. Postigo, 1996 .

Mechanism and Chemoselectivity of Mn-Catalyzed Intramolecular Nitrene Transfer Reaction: C–H Amination vs. C=C Aziridination

Ting Li, K. Zheng, Juping Wang, 2020, Catalysts.

Cyclobutene photochemistry. 4. The photochemistry of cis- and trans-bicyclo[5.2.0]non-8-ene

W. Leigh, K. Zheng, K. B. Clark, 1991 .

Synthesis, characterization, and DNA-binding properties of the ruthenium(II) complexes [Ru(dipn)(dptp)](ClO4)2 and [Ru(dipn)(pat)](ClO4)2 (dipn =N-(3-aminpropyl)propane-1,3-diamine; dptp = 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline; pat = 9-(1,10-phenanthrolin-2-yl)acenaphtho[1,2-e][1,2

Hong Li, L. Ji, H. Chao, 2004 .

Syntheses and crystal structures of tetracopper(II) complexes bridged by asymmetric N,N'-bis(substituted)oxamides: Molecular docking, DNA-binding and in vitro anticancer activity.

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2013, Journal of inorganic biochemistry.

Synthesis and crystal structure of a new copper(II) complex with N,N′-(4,4′-bithiazole-2,2′-diyl)diacetimidamide as ligand: Molecular docking, DNA-binding and cytotoxicity activity studies

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2013 .

N-[3-(Dimethylamino)propyl]-N′-(2-hydroxy-5-methylphenyl)oxamide

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2012, Acta crystallographica. Section E, Structure reports online.

Theoretical studies on DNA-photocleavage efficiencies of Ru(II) polypyridyl complexes.

Shuang-Bao Li, K. Zheng, Ti-fang Miao, 2013, Dalton transactions.

Theoretical studies on DNA-photocleavage efficiencies and mechanisms of Ru(II) polypyridyl complexes

K. Zheng, Ti-fang Miao, Jin-Can Chen, 2012, JBIC Journal of Biological Inorganic Chemistry.

Studies on electronic structures and related properties of complexes M(tap)32+ (M = Fe, Ru, Os) by the DFT method

Yong Shen, K. Zheng, Fengcun Yun, 2002 .

Studies of substituent effects on the electronic structure and related properties of [Ru(phen)3]2+ with DFT method

Yong Shen, K. Zheng, Fengcun Yun, 2002 .

Metallic coordination selectivity effect in the trinuclear M3(RCOO)6 secondary building units of three layer metal–carboxylate frameworks

Xiao‐Feng Wang, K. Zheng, Shuhong Wang, 2016 .

3D-QSAR Study on a Series of Indolo[1,2-b]quinazoline Derivatives with Anticancer Activity and their Molecular Design

Yong Shen, K. Zheng, Li Qian, 2006 .

Synthesis, structure and in vitro antiproliferative activities of oxamido‐bridged dicopper(II) complexes: A comparative study of experimental evidence and molecular docking of DNA/protein binding

K. Zheng, Yan-Tuan Li, Zhi‐Yong Wu, 2018 .

Synthesis and Structure of a Ternary Copper(II) Complex with Mixed Ligands of Diethylenetriamine and Picrate: DNA/Protein‐Binding Property and In Vitro Anticancer Activity Studies

K. Zheng, Lingui Zhu, Yan-Tuan Li, 2015, Journal of biochemical and molecular toxicology.

Cytotoxic diterpenoids from the soft coral Sarcophyton crassocaule.

Cui‐Xian Zhang, K. Zheng, Jun Li, 2006, Journal of natural products.

3D-QSAR AND DOCKING STUDIES OF NOVEL QUINAZOLINE ANALOGUES AS ORAL INHIBITORS TOWARDS AP-1 AND NF-κB

Yong Shen, K. Zheng, Hai-Liang Lu, 2009 .

3D-QSAR and Docking Studies of Quinazoline Derivatives with the Inhibitory Activity Toward NF-κB

Yaxue Wang, Yong Shen, K. Zheng, 2008 .

Probing the binding mechanism of novel dual NF-κB/AP-1 inhibitors by 3D-QSAR, docking and molecular dynamics simulations

Rong Zhang, Wenjuan Wu, Shengfu Zhou, 2015 .

Structures and Anticancer Activities of a Series of Isomeric ComplexesRu(azpy)2Cl2

Wenjuan Wu, K. Zheng, Jun Li, 2006 .

A DFT study on the hydrolysis mechanism of NH‐tautomeric antitumors of [HL][trans‐RuCl4L(dmso‐S)]

L. Ji, K. Zheng, J. Chen, 2009 .

A theoretical study on the hydrolysis process of two Keppler-type antitumor complexes [TzH][trans-RuCl4(Tz)2] and [2-NH2TzH][trans-RuCl4(2-NH2Tz)2].

L. Ji, K. Zheng, Siyan Liao, 2009, Physical chemistry chemical physics : PCCP.

A theoretical study on the hydrolysis process of the antimetastatic ruthenium(III) complex NAMI-A.

L. Ji, K. Zheng, Siyan Liao, 2007, The journal of physical chemistry. B.

The hydrolysis process of the anticancer complex [ImH][trans-RuCl4(Im)2]: a theoretical study.

L. Ji, K. Zheng, Siyan Liao, 2007, Dalton transactions.

Effect of Electronic Structures of Enantiomers of Ruthenium(II) Polypyridyl Complexes on DNA Binding Behaviors

M. Tong, L. Ji, K. Zheng, 2010 .

Cyclobutene photochemistry. Identification of the excited states responsible for the ring-opening and cycloreversion reactions of alkylcyclobutenes

N. H. Werstiuk, W. Leigh, K. Zheng, 1991 .

Cyclobutene photochemistry. Reinvestigation of the photochemistry of cis- and trans-tricyclo[6.4.0.02,7]dodec-1-ene

W. Leigh, K. Zheng, 1991 .

DNA binding and photocleavage properties of a novel cationic porphyrin-anthraquinone hybrid.

Liancai Xu, L. Ji, K. Zheng, 2008, Biophysical chemistry.

Studies on 4,7‐di‐substitution effects of one ligand in [Ru(Phen)3]2 with DFT method

Yong Shen, Kangcheng Zheng, Juping Wang, 2002, J. Comput. Chem..

Density functional theory/time-dependent DFT studies on the structures, trend in DNA-binding affinities, and spectral properties of complexes [Ru(bpy)2(p-R-pip)]2+ (R = -OH, -CH3, -H, -NO2).

Liancai Xu, L. Ji, K. Zheng, 2006, The journal of physical chemistry. A.

A combined computational and experimental study on DNA-photocleavage of Ru(II) polypyridyl complexes [Ru(bpy)2(L)]2+ (L = pip, o-mopip and p-mopip).

Liancai Xu, L. Ji, Shuo Shi, 2008, Dalton transactions.

Computational analysis of binding between benzamide-based derivatives and Abl wt and T315I mutant kinases

Rong Zhang, Wenjuan Wu, Shengfu Zhou, 2016 .

DFT-based QSAR study and molecular design of AHMA derivatives as potent anticancer agents

Yong Shen, Yong Shen, K. Zheng, 2007 .

Identifying hQC Inhibitors of Alzheimer’s Disease by Effective Customized Pharmacophore-Based Virtual Screening, Molecular Dynamic Simulation, and Binding Free Energy Analysis

Wenjuan Wu, Shengfu Zhou, Danqing Fang, 2018, Applied Biochemistry and Biotechnology.

Theoretical Study on Electronic Gain-and-loss Properties of TEMPO and Its Derivates in Charge/Discharge Processes

K. Zheng, Jinqing Qu, Shu Mao, 2012 .

N-(5-Chloro-2-hydroxyphenyl)-N′-(3-hydroxypropyl)oxalamide

K. Zheng, Yan-Tuan Li, Zhiyong Wu, 2016 .

A comparative study of inter- and intramolecular C–H aminations: mechanism and site selectivity

K. Zheng, Binbin Lin, Juping Wang, 2017 .

Two new sesquiterpenoids from the soft coral Sinularia polydactyla (Ehreberg).

Cui‐Xian Zhang, K. Zheng, Chen-chen Zhu, 2008, Journal of Asian natural products research.

Theoretical studies on DNA-photocleavage efficiencies and mechanisms of Ru(II) polypyridyl complexes

Fang Ma, Shuang-Bao Li, K. Zheng, 2012, JBIC Journal of Biological Inorganic Chemistry.

Theoretical studies on iron-catalyzed azaindoline formation: mechanism and site-selectivity.

K. Zheng, Juping Wang, Li Qian, 2021, Dalton transactions.

Binding conformations and QSAR of CA-4 analogs as tubulin inhibitors

Yong Shen, K. Zheng, J. Chen, 2010, Journal of enzyme inhibition and medicinal chemistry.

2D/3D-QSAR STUDY ON ANALOGUES OF 2-METHOXYESTRADIOL WITH ANTICANCER ACTIVITY

Yong Shen, K. Zheng, J. Chen, 2008 .

QSAR Studies and Molecular Design of Phenanthrene‐based Tylophorine Derivatives with Anticancer Activity

Yong Shen, Li Qian, Yong Shen, 2008 .

3D-QSAR of Benzothiazole Derivatives as Potent Anticancer Agents

Yong Shen, K. Zheng, Li Qian, 2007 .

Electronic Structures and Related Properties of Complexes M(bpy)3n+(M = Re, Os, and Ir; n = 1, 2, and 3, Respectively)

Yong Shen, K. Zheng, Fengcun Yun, 2001 .

Exploration of the binding mode between (−)-zampanolide and tubulin using docking and molecular dynamics simulation

K. Zheng, Siyan Liao, Jin-Can Chen, 2014, Journal of Molecular Modeling.

Mechanistic and chemoselective insights on sp3- and sp2-C–H bond aminations: Fe- vs. Ir-based catalysis

K. Zheng, Li Qian, Juping Wang, 2021 .

Theoretical studies on QSAR and mechanism of 2-indolinone derivatives as tubulin inhibitors

K. Zheng, Hai-Liang Lu, Li Qian, 2009 .

Studies on 6,6‘-Disubstitution Effects of the dpq in [Ru(bpy)2(dpq)]2+ with DFT Method

K. Zheng, Fengcun Yun, W. Peng, 2001 .

Study on the binding mode of a pyrrolotriazin derivative with JAK2 by docking and MD simulation

J. Zhao, K. Zheng, Siyan Liao, 2018, Molecular Simulation.

Electronic structures and SARs of the isomeric complexes α-, β-, γ- [Ru(mazpy)2Cl2] with different antitumor activities

K. Zheng, J. Chen, Li Qian, 2005 .