280.Enantioselective Intermolecular Heck and Reductive Heck Reactions of Aryl Triflates, Mesylates, and Tosylates Catalyzed by Nickel

Angew. Chem. Int. Ed. 2021, 60, 2828 – 2832

Xiaolei Huang, Shenghan Teng, Yonggui Robin Chi, Wenqiang Xu, Maoping Pu, Yun-Dong Wu, and Jianrong Steve Zhou*

 

279.Iron-catalysed asymmetric carboazidation of styrenes

Nat Catal. 2020, 4, 28–35

Liang Ge, Huan Zhou, Mong-Feng Chiou, Heming Jiang, Wujun Jian, Changqing Ye, Xiaoyan Li, Xiaotao Zhu, Haigen Xiong, Yajun Li , Lijuan Song, Xinhao Zhang*,  and Hongli Bao*

 

278.Copper-Catalyzed Enantioselective Radical 1, 4-Difunctionalization of 1, 3-Enynes

J. Am. Chem. Soc. 2020, 142, 18014–18021

Yuehua Zeng, Mong-Feng Chiou, Xiaotao Zhu, Jie Cao, Daqi Lv, Wujun Jian, Yajun Li, Xinhao Zhang*, and Hongli Bao*

 

277.Computational Study on the Fate of Oxidative Directing Groups in Ru(II), Rh(III), and Pd(II) Catalyzed C-H Functionalization

J. Org. Chem. 2020, 85, 12594–12602

Siqi Liu, Maoping Pu, Yun-Dong Wu*, and Xinhao Zhang*

 

276.IDRMutPred: predicting disease-associated germline nonsynonymous single nucleotide variants (nsSNVs) in intrinsically disordered regions

Bioinformatics, 2020, 36, 4977–4983

Jing-Bo Zhou, Yao Xiong, Ke An, Zhi-Qiang Ye,* and Yun-Dong Wu*

 

275.Ru-Catalyzed Geminal Hydroboration of Silyl Alkynes via a New gem-Addition Mechanism

J. Am. Chem. Soc. 2020, 142, 13867–13877

Qiang Feng, Haonan Wu, Xin Li, Lijuan Song, Lung Wa Chung*, Yun-Dong Wu*, and Jianwei Sun*

 

274.Diastereo- and Enantioselective Catalytic Radical Oxysulfonylation of Alkenes in β,γ-Unsaturated Ketoximes

Chem. 2020, 6, 1692–1706

Xi-Tao Li, Ling Lv, Ting Wang, Qiang-Shuai Gu, Guo-Xing Xu, Zhong-Liang Li, Liu Ye, Xinhao Zhang, Gui-Juan Cheng,* and Xin-Yuan Liu*

 

273.Hybrid Palladium Catalyst Assembled from Chiral Phosphoric Acid and Thioamide for Enantioselective β‐C(sp3)-H Arylation

Angew. Chem. Int. Ed. 2020, 59, 12774–12778

Hua-Jie Jiang, Xiu-Mei Zhong, Zi-Ye Liu, Rui-Long Geng, Yang-Yang Li, Yun-Dong Wu, Xinhao Zhang,* and Liu-Zhu Gong*

272.Synthesis of ortho-Phenolic Sulfilimines via an Intermolecular Sulfur Atom Transfer Cascade Reaction

Org. Lett. 2020, 22,  3799–3803

Feng Xiong,* Yingying Zuo, Yinan Song, Linxing Zhang, Xinhao Zhang,* Shaojian Xu and Yan Ren*

271.CRiSP: accurate structure prediction of disulfide-rich peptides with cystine-specific sequence alignment and machine learning

Bioinformatics. 2020,  36, 3385–3392

Zi-Lin Liu, Jing-Hao Hu, Fan Jiang* and Yun-Dong Wu*

 

270.Asymmetric Reductive and Alkynylative Heck Bicyclization of Enynes to Access Conformationally Restricted Aza[3.1.0]bicycles

Angew. Chem. Int. Ed.  2020, 59, 10814-10818

Xiaolei Huang, Minh Hieu Nguyen, Maoping Pu, Luoqiang Zhang, Yonggui Robin Chi, Yun-Dong Wu, and Jianrong Steve Zhou*

 

269.Organocatalytic nitrogen transfer to unactivated olefins via transient oxaziridines

Nat Catal.  2020, 3, 386–392

Qing-Qing Cheng  , Zhe Zhou  , Heming Jiang, Juha H. Siitonen, Daniel H. Ess, Xinhao Zhang   and László Kürti *

268.Ligand-Controlled C-O Bond Coupling of Carboxylic Acids and Aryl Iodides: Experimental and Computational Insights

Adv. Synth. Catal. 2020, 362, 126 – 132

 

267.Computational Methods for Studying Conformational Behaviors of Cyclic Peptides[M]

Fan Jiang, Hao Geng

 

266.Applications of Molecular Dynamics Simulation in Structure Prediction of Peptides and Proteins

Comput Struct Biotechnol J. 2019, 17, 1162-1170

HaoGeng, FangfangChen, JingYe, FanJiang*

 

265.Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide

J. Am. Chem. Soc. 2019, 141, 1, 548–559

Xiaotao Zhu, Weili Deng, Mong-Feng Chiou, Changqing Ye, Wujun Jian, Yuehua Zeng, Yihang Jiao, Liang Ge, Yajun Li, Xinhao Zhang*, and Hongli Bao*

 

264.Iron-catalyzed carboazidation of alkenes and alkynes

Nat Commun. 2019, 10,122

Haigen Xiong, Nagarajan Ramkumar, Mong-Feng Chiou, Wujun Jian, Yajun Li, Ji-Hu SuXinhao Zhang & Hongli Bao*

 

263.The reaction of alkyl hydropersulfides (RSSH, R = CH3 and Bu-t) with H2S in the gas phase and in aqueous solution

Phys. Chem. Chem. Phys. 2019,21, 537-545

Linxing Zhang, Xinhao Zhang, Yun-Dong Wu,*Yaoming Xie, Jon M. Fukuto and Henry F. Schaefer III*

 

262.A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation

Org. Lett. 2019, 21, 2, 360–364

Song-Bai Wu, Tonghuan Zhang, Lung Wa Chung*, and Yun-Dong Wu

 

261.Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis

ACS Catal. 2019, 9, 2, 791–797

Hong-Cheng Shen, Ling Zhang, Shu-Sen Chen, Jiajie Feng, Bo-Wen Zhang, Ying Zhang, Xinhao Zhang*, Yun-Dong Wu, and Liu-Zhu Gong*

 

260.Assembling a Hybrid Pd Catalyst from a Chiral Anionic Co-III Complex and Ligand for Asymmetric C(sp(3))-H Functionalization

Angew. Chem. Int. Ed. 2019, 58, 1803-1807

 

259.Access to N-Substituted 2-Pyridones by Catalytic Intermolecular Dearomatization and 1,4-Acyl Transfer

Angew. Chem. Int. Ed. 2019, 58, 1850-1850

Guangyang Xu, Ping Chen, Pei Liu, Shengbiao Tang, Xinhao Zhang,* Jiangtao Sun*

 

258.Rh(II)/Bronsted Acid Catalyzed General and Highly Diastereo- and Enantioselective Propargylation of in Situ Generated Oxonium Ylides and C-Alkynyl N-Boc N,O-Acetals: Synthesis of Polyfunctional Propargylamines

Org. Lett. 2019, 21, 5, 1292–1296

Xueling Meng, Binmiao Yang, Linxing Zhang, Guangyao Pan, Xinhao Zhang*, and Zhihui Shao*

 

257.Interaction of peptide backbones and transition metal ions: 1. an IM-MS and DFT study of the binding pattern, structure and fragmentation of Pd(II)/Ni(II)-Polyalanine complexes

International Journal of Mass Spectrometry. 2019, 438, 87-96.

Ziye Liu, Siyun Chen, Fangfang Qiao, Xinhao Zhang*

 

256.Developments and Applications of Coil-Library-Based Residue Specific Force Fields for Molecular Dynamics Simulations of Peptides and Proteins

J. Chem. Theory Comput. 2019, 15, 5, 2761–2773

Fan Jiang, Hao-Nan Wu, Wei Kang, and Yun-Dong Wu*

 

255.Designing new Togni reagents by computation

Chem. Commun. 2019, 55, 5667-5670

Heming Jiang, Tian-Yu Sun, Ying Chen, Xinhao Zhang,*Yun-Dong Wu,*Yaoming Xie and  Henry F. Schaefer, III*  

 

254.Rhodium-Catalyzed C=N Bond Formation through a Rebound Hydrolysis Mechanism and Application in beta-Lactam Synthesis

Org. Lett. 2019, 21, 11, 4124–4127

Long Chen, Linxing Zhang, Ying Shao, Guangyang Xu, Xinhao Zhang*, Shengbiao Tang, and Jiangtao Sun*

 

253.Copper(I)-Catalyzed Intramolecular Asymmetric Double C-Arylation for the Formation of Chiral Spirocyclic Bis-oxindoles

Org. Lett. 2019, 21, 12, 4505–4509

Ting Liu, Jiajie Feng, Chen Chen, Zhuoji Deng, Rajendraprasad Kotagiri, Guangxiong Zhou*, Xinhao Zhang*, and Qian Cai*

 

252.Facile difluoromethylation of aliphatic alcohols with an S-(difluoro-methyl)sulfonium salt: reaction, scope and mechanistic study

Chem. Commun., 2019, 55, 7446-7449

Guo-Kai Liu,* Xin Li, Wen-Bing Qin,  Xiao-Shui Peng, Henry N. C. Wong, Linxing Zhang and  Xinhao Zhang

 

251.Synthesis of Benzofurans and Benzoxazoles through a [3,3]-Sigmatropic Rearrangement: O-NHAc as a Multitasking Functional Group

Org. Process Res. Dev. 2019, 23, 8, 1646–1653

Dingyuan Yan, Heming Jiang, Wenxue Sun, Wei Wei, Jing Zhao*, Xinhao Zhang*, and Yun-Dong Wu

 

250.Significantly different contact patterns between A beta 40 and A beta 42 monomers involving the N-terminal region

Chemical Biology & Drug Design. 2019, 94, 1615-1625

 

249.Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes

J. Am. Chem. Soc. 2019, 141, 42, 16643–16650

Robynne K. Neff, Yong-Liang Su, Siqi Liu, Melina Rosado, Xinhao Zhang, and Michael P. Doyle*

 

248.Large expert-curated database for benchmarking document similarity detection in biomedical literature search

Database (Oxford). 2019, baz085

Brown P, RELISH Consortium, Zhou Y

 

247.Ru-Catalyzed Migratory Geminal Semihydrogenation of Internal Alkynes to Terminal Olefinsl

J. Am. Chem. Soc. 2019, 141, 43, 17441–17451

Lijuan Song, Qiang Feng, Yong Wang, Shengtao Ding, Yun-Dong Wu, Xinhao Zhang, Lung Wa Chung*, and Jianwei Sun*

 

246.Mechanistic understanding of catalysis by combining mass spectrometry and computation

Chem. Commun. 2019, 55, 12749-12764

Gui-Juan Cheng,* Xiu-Mei Zhong, Yun-Dong Wu* and  Xinhao Zhang*

 

245.Radical Reactivity, Catalysis, and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry

J. Am. Chem. Soc. 2019, 141, 45, 18341–18348

Qian Zhang, Ting Wang, Xinhao Zhang*, Shuo Tong, Yun-Dong Wu, and Mei-Xiang Wang*

 

244.WDSPdb: an updated resource for WD40 proteins

Bioinformatics, 2019, 35, 4824–4826

Jing Ma1,†, Ke An1, Jing-Bo Zhou, Nuo-Si Wu, Yang Wang, Zhi-Qiang Ye,* and Yun-Dong Wu*

 

243.Directing Effects on the Copper-Catalyzed Site-Selective Arylation of Indoles

Org Lett. 2018, 20, 6502-6505

Ting Wang, Liyan Zhou, Youqing Yang, Xinhao Zhang,* Zhuangzhi Shi,*and Yun-Dong Wu*

 

242.Facile Chemoselective Modification of Thio-Ethers Generates Chiral Center-Induced Helical Peptides

Bioconjugate Chem. 2018, 29, 9, 2904–2908

Zhanfeng Hou, Chengjie Sun, Hao Geng, Kuan Hu, Mingsheng Xie, Yue Ma, Fan Jiang*, Feng Yin*, and Zigang Li*

 

241.Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA

Sci Rep. 2018, 8,12965

Chen Shen, Ye Du, FangfangQiao, Tian Kong, LirongYuan, Delin Zhang, XianhuiWu, Dongyang Li*, & Yun-DongWu*

 

241.Rhodium-Catalyzed Regioselective N(2) -Alkylation of Benzotriazoles with Diazo Compounds/Enynones via a Nonclassical Pathway

Angew Chem Int Ed Engl. 2018, 57, 12489-12493

Wang Kai, Ji Danqing, Xu Guangyang, Sun Jiangtao, Chen Ping, Zhang Xinhao

 

240.Tuning peptide self-assembly by an in-tether chiral center

Sci. Adv. 2018, 4, 5907

Kuan Hu,* Yixiang Jiang,* Wei Xiong, Hu Li, Pei-Yu Zhang, Feng Yin, Qianling Zhang, Hao Geng, Fan Jiang, Zhou Li,  Xinwei Wang, Zigang Li

 

239.Universal Implementation of a Residue-Specific Force Field Based on CMAP Potentials and Free Energy Decomposition

J Chem Theory Comput. 2018, 14, 4474-4486

Wei Kang, Fan Jiang,* and Yun-Dong Wu

 

238.PPI network analyses of human WD40 protein family systematically reveal their tendency to assemble complexes and facilitate the complex predictions

BMC Systems Biology. 2018, 12, 41

Xu-Dong Zou1, Ke An1, Yun-Dong Wu1,2* and Zhi-Qiang Ye1*

 

237. Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions

J. Am. Chem. Soc. 2018, 140, 5579-5587

Qian Zhang, Yang Liu, Ting Wang, Xinhao Zhang,* Chao Long, Yun-Dong Wu, Mei-Xiang Wang,*

 

236. Computational exploration of reactive fragment for mechanism-based inhibition of xanthine oxidase

J. Organomet. Chem. 2018, 864, 58-67

Ye Du, Ziye Liu, Fangfang Qiao, Shunyang Wang, Kai Chen,* Xinhao Zhang,*

 

235. Streamlined asymmetric α-difunctionalization of ynones

Nature Commun. 2018, 9, 375.

Siyu Peng, Zhaofeng Wang, Linxing Zhang, Xinhao Zhang, Yong Huang,*

 

234. A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment.

Org. Lett. 2017, 19, 6502-6505.

Heming Jiang, Tian-Yu Sun, Xiao Wang, Yaoming Xie, Xinhao Zhang,* Yun-Dong Wu,* Henry F. Schaefer,*

 

233.  Iron(III)-Catalyzed Ortho-Preferred Radical Nucleophilic Alkylation of Electron-Deficient Arenes

Org. Lett. 2017, 19, 6538-6541.

Fei Yu, Ting Wang, Huan Zhou, Yajun Li, Xinhao Zhang, Hongli Bao,*

 

232.  A bioinspired and biocompatible ortho-sulfiliminyl phenol synthesis

Nature Commun. 2017, 8, 15912.

Feng Xiong, Liang Lu, Tian-Yu Sun, Qian Wu, Dingyuan Yan, Ying Chen, Xinhao Zhang, Wei Wei, Yi Lu, Wei-Yin Sun, Jie Jack Li, Jing Zhao,*

 

231. Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.

Am. Chem. Soc. 2017, 139, 13076-13082.

Bo Qian, Shaowei Chen, Ting Wang, Xinhao Zhang,* Hongli Bao,*

 

230. γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes

Org. Lett. 2017, 19, 4718-4721.

Nengbo Zhu, Ting Wang, Liang Ge, Yajun Li, Xinhao Zhang,* Hongli Bao,*

 

229. Density Functional Theory Study of the Reaction between d(0) Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis.

Inorg. Chem. 2017, 56, 7111-7119.

Ping Chen, Linxing Zhang, Zi-Ling Xue, Yun-Dong Wu, Xinhao Zhang,*

 

228. Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.

J. Org. Chem. 2017, 82, 3463-3481.

Xuefeng Liang, Liyan Zhou, Long Min, Weijian Ye, Wenli Bao, Wenjing Ma, Qianqian Yang, Fangfang Qiao, Xinhao Zhang,* Chi-Sing Lee,*

 

227. Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C–O Coupling Reactions via Asymmetric Desymmetrization. 

J. Org. Chem. 2017, 82, 1458-1463.

Yong Zhang, Qiuyan Wang, Ting Wang, Huan He, Wenqiang Yang, Xinhao Zhang, Qian Cai,*

 

226. A Combined DFT/IM-MS Study on the Reaction Mechanism of Cationic Ru(II)-Catalyzed Hydroboration of Alkynes.

ACS Catalysis 2017, 1361-1368.

Li-Juan Song, Ting Wang, Xinhao Zhang,* Lung Wa Chung,* Yun-Dong Wu,*

 

225. Mechanistic Study on Pd/Mono-N-protected Amino Acid Catalyzed Vinyl–Vinyl Coupling Reactions: Reactivity and E/Z Selectivity.

Org. Lett. 2016, 18, 5240-5243.

Xiumei Zhong, Gui-Juan Cheng, Ping Chen, Xinhao Zhang,* Yun-Dong Wu,*

 

224. Metal-Free [2+2+2] Cycloaddition of Ynamides and Nitriles: Mild and Regioselective Synthesis of Fully Substituted Pyridines

Angew. Chem. Int. Ed. 2016, 55, 9704-9708.

Yong Wang, Li-Juan Song, Xinhao Zhang,* Jianwei Sun,*

 

223. Stereoselectivity in (Acyloxy)borane-Catalyzed Mukaiyama Aldol Reactions.

J. Org. Chem., 2016, 81 (13), 5314–5321.

Joshua M. Lee†, Xin Zhang#, Per-Ola Norrby†‡§, Paul Helquist*†, and Olaf Wiest*†

 

222. Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study.

J. Org. Chem., Article ASAP

Li-Juan Song†, Shengtao Ding‡, Yong Wang§, Xinhao Zhang*†, Yun-Dong Wu*†, and Jianwei Sun*‡

 

221. New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry.

Acc. Chem. Res., 2016, 49(6), 1302−1310.

Xinhao Zhang*†, Lung Wa Chung*‡, and Yun-Dong Wu*†§

 

220. Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.

J. Org. Chem. 2016, 81(10), 4058−4065.

Le Liu†, Tonghuan Zhang‡, Yun-Fang Yang‡, Daisy Zhang-Negrerie†, Xinhao Zhang‡, Yunfei Du*†, Yun-Dong Wu*‡, and Kang Zhao*†

 

219. Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields.

J. Phys. Chem. Lett. 2016, 7, 1805−1810.

Hao Geng†, Fan Jiang*†, and Yun-Dong Wu*†‡

 

218. Folding Simulations of an α‑Helical Hairpin Motif αtα with ResidueSpecific Force Fields.

J. Phys. Chem. B. 2016, 120, 33−41

Juan Zeng,† Fan Jiang,*,† and Yun-Dong Wu*,†,‡

 

217. Mechanism of Ni-NHC Catalyzed Hydrogenolysis of Aryl Ethers: Roles
of the Excess Base

ACS Catal. 2016, 6, 483−493
Liping Xu,† Lung Wa Chung,*,‡ and Yun-Dong Wu†,§

 

216. Why does Togni’s reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents (cover story)

Chem. Commun. 2016, 52, 5371--5374

Tian-Yu Sun, Xiao Wang, Hao Geng, Yaoming Xie, Yun-Dong Wu, Xinhao Zhang* and Henry F. Schaefer III*

 

215. A diversity-oriented synthesis of bioactive benzanilides via a regioselective C(sp2)–H hydroxylation strategy

Chem. Sci., 2016, 7, 2229–2238

Yong-Hui Sun,‡a Tian-Yu Sun,‡b Yun-Dong Wu,bc Xinhao Zhang*b and Yu Rao*a

 

214. A Combined IM-MS/DFT Study on [Pd(MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework

Chem. Eur. J. 2015, 21, 11180 – 11188

Gui-Juan Cheng,[a] Ping Chen,[a] Tian-Yu Sun,[a] Xinhao Zhang,*[a] Jin-Quan Yu,*[b] and YunDong Wu*[a, c]

 

213. Toward electron-deficient pyrene derivatives: construction of pyrene tetracarboxylic diimide containing five-membered imide rings†

Chem. Commun., 2015, 51, 12585--12588

Lin Zou, Xiao-Ye Wang, Xiao-Xiao Zhang, Ya-Zhong Dai, Yun-Dong Wu,*
Jie-Yu Wang* and Jian Pei*

 

212. Non-manifesting AHI1 truncations indicate localized loss-of-function tolerance in a severe Mendelian disease gene

Human Molecular Genetics, 2015, Vol. 24, No. 9, 2594-2603

 

211. Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field

J. Chem. Theory Comput. 2015, 11, 5473−5480

Chen-Yang Zhou,†,‡ Fan Jiang,*,† and Yun-Dong Wu*,†,‡

 

210. Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions

Shengtao Ding, Li-Juan Song, Yong Wang, Xinhao Zhang,* Lung Wa Chung,* Yun-Dong Wu,* and Jianwei Sun*

 

209. Significant refinement of protein structure models using a residue-specific force field.

Sangni Xun,† Fan Jiang,*,† and Yun-Dong Wu*,†,‡

 

208. Residue-Specific Force Field Based on Protein Coil Library. RSFF2 Modification of AMBER ff99SB.

Chen-Yang Zhou,† Fan Jiang,*,‡ and Yun-Dong Wu*,†,‡

 

207. WDSPdb A Database for WD40-repeat Proteins.

Yang Wang1,†, Xue-Jia Hu1,†, Xu-Dong Zou1, Xian-Hui Wu1, Zhi-Qiang Ye1,* and Yun-Dong Wu1,2,

 

206. Pd-Catalyzed Asymmetric Intramolecular Aryl C-O Bond Formation with SDP(O) Ligand Enantioselective Synthesis of (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanols.

Jialing Shi,†,§,⊥ Ting Wang,‡,⊥ Yusha Huang,†,∥ Xinhao Zhang,*,‡ Yun-Dong Wu,*,‡ and Qian Cai*,†

 

 

 

205. Computational Organic Chemistry Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions.

Gui-Juan Cheng,† Xinhao Zhang,† Lung Wa Chung,‡ Liping Xu,† and Yun-Dong Wu*,†,§

 

204. Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl Alcohols.

Margaret J. Hilton,† Li-Ping Xu,‡ Per-Ola Norrby,§ Yun-Dong Wu,‡ Olaf Wiest,‡,∥and Matthew S. Sigman*,†

 

203. Mutation of POC1B in a Severe Syndromic Retinal Ciliopathy.

Bodo B. Beck, Yang Wang, Yundong Wu, et,al.

 

202. Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles A Theoretical Study

Yun-Fang Yang,†,§ Lung Wa Chung,*,‡ Xinhao Zhang,† K. N. Houk,*,§ and Yun-Dong Wu*,†,∥

 

 

201. Inhibition and Mechanism of HDAC8 Revisited

Kai Chen,† Xiaoxiao Zhang,† Yun-Dong Wu,†,§ and Olaf Wiest*,†,‡

 

 

200. Enantioselective Formation of Cyano-Bearing All-Carbon Quaternary Stereocenters Desymmetrization by Copper-Catalyzed N-Arylation

Fengtao Zhou, Gui-Juan Cheng, Wenqiang Yang, Yan Long, Shasha Zhang, Yun-Dong Wu, Xinhao Zhang,* and Qian Cai*

 

 

199. Folding of Fourteen Small Proteins with a Residue-Specific Force Field and Replica-Exchange Molecular Dynamics

Fan Jiang*,† and Yun-Dong Wu*,†,‡

 

 

198. Residue-Specific Force Field Based on the Protein Coil Library. RSFF1 Modification of OPLS-AAL

Fan Jiang,*,† Chen-Yang Zhou,‡ and Yun-Dong Wu*,†,‡ 

 

197. Synthesis of Indolo[2,1-a]isoquinolines via a Triazene-Directed C–H Annulation Cascade

Huan Sun, Chengming Wang, Yun-Fang Yang, Ping Chen, Yun-Dong Wu,* Xinhao Zhang,* and Yong Huang* 

196. Palladium-catalyzed benzo[d]isoxazole synthesis by C–H activation/[4 + 1] annulation

Pingping Duan,^a Yunfang Yang,^a Rong Ben,^b Yiyong Yan,^a Lu Dai,^a Mei Hong,^a Yun-Dong Wu,^a Dongqi Wang,^*a Xinhao Zhang^*a and Jing Zhao^*ab

Chem. Sci., 2014, 5, 1574

 

195. Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols

Liping Xu,† Margaret J. Hilton,‡ Xinhao Zhang,† Per-Ola Norrby,*,§,∥ Yun-Dong Wu,*,† Matthew S. Sigman,*,‡ and Olaf Wiest*,†,⊥

J. Am. Chem. Soc. 2014, 136, 1960−1967

 

194. Role of N‑Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C−H Activation of Tethered Arenes

Gui-Juan Cheng,† Yun-Fang Yang,†,‡ Peng Liu,‡ Ping Chen,† Tian-Yu Sun,† Gang Li,§ Xinhao Zhang,† K. N. Houk,*,‡ Jin-Quan Yu,*,§ and Yun-Dong Wu*,†,∥

J. Am. Chem. Soc. 2014, 136, 894−897

 

193. Palladium-Catalyzed Meta-Selective C−H Bond Activation with a Nitrile-Containing Template,Computational Study on Mechanism and Origins of Selectivity

Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen,Xinhao Zhang, Jin-Quan Yu,* Yun-Dong Wu* and K. N. Houk*

J. Am. Chem. Soc. 2014, 136, 344−355

 

192. Ligand-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal Alkynes：Experimental and Theoretical Studies

Shengtao Ding, Li-Juan Song, Lung Wa Chung, Xinhao Zhang, Jianwei Sun and Yun-Dong Wu

J. Am. Chem. Soc. 2013, 135, 13835−13842

188. Nudibaccatumone, a Trimer Comprising a Phenylpropanoid and Two Sesquiterpene Moieties from Piper nudibaccatum

187. Structure and Chemistry of the Heteronuclear Oxo-Cluster [VPO4]•+: A Model System for the Gas-Phase Oxidation of Small Hydrocarbons

Nicolas Dietl, Torsten Wende, Kai Chen, Ling Jiang, Maria Schlangen, Xinhao Zhang, Knut R. Asmis and Helmut Schwarz

J. Am. Chem. Soc. 2013, 135, 3711−3721

186. The Intrinsic Conformational Features of Amino Acids from Protein Coil Library and Their Applications in Force Field Development

Fan Jiang, Wei Han and Yun-Dong Wu

Physical Chemistry Chemical Physics

185. Total Synthesis of Incarvilleatone and Incarviditone: Insight into Their Biosynthetic Pathways and Structure Determination

Kun Zhao, Gui-Juan Cheng, Hongzhi Yang, Hai Shang, Xinhao Zhang, Yun-Dong Wu and Yefeng Tang

Org. Lett.,2012,Vol. 14, No. 18,4878–4881

 

 

184. Conjugate Addition vs Heck Reaction: A Theoretical Study on Competitive Coupling Catalyzed by Isoelectronic Metal (Pd(II) and Rh(I))

Qian Peng, Hong Yan, Xinhao Zhang and Yun-Dong Wu

J. Org. Chem. 2012, 77, 7487−7496

183. Reactions of a tungsten alkylidyne complex with mono-dentate phosphines: Thermodynamic and theoretical studies

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