深圳市计算化学与药物设计重点实验室
Lab of Computational Chemistry and Drug Design

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 ZengMong-Feng ChiouXiaotao ZhuJie CaoDaqi LvWujun JianYajun LiXinhao 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 LiuMaoping PuYun-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 FengHaonan WuXin LiLijuan SongLung 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

Li Li, Feifei Song, Xiumei Zhong, Yun-Dong Wu, Xinhao Zhang,*Jiean Chen,* and Yong Huang*

 

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 ZhuWeili DengMong-Feng ChiouChangqing YeWujun JianYuehua ZengYihang JiaoLiang GeYajun LiXinhao 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 WuTonghuan ZhangLung 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 ShenLing ZhangShu-Sen ChenJiajie FengBo-Wen ZhangYing ZhangXinhao 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

Huajie Jiang, Xiumei Zhong, Jie Yu, Ying Zhang, Xinhao Zhang,* Yun‐Dong Wu, Liu‐Zhu Gong*

 

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 MengBinmiao YangLinxing ZhangGuangyao PanXinhao 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 JiangHao-Nan WuWei Kang, and Yun-Dong Wu*

 

255.Designing new Togni reagents by computation

Chem. Commun. 2019, 55, 5667-5670

 

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 ChenLinxing ZhangYing ShaoGuangyang XuXinhao 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 LiuJiajie FengChen ChenZhuoji DengRajendraprasad KotagiriGuangxiong 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

 

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 YanHeming JiangWenxue SunWei WeiJing 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

Ziye Liu, Fan Jiang, Yun‐Dong Wu

 

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. NeffYong-Liang Su, Siqi LiuMelina RosadoXinhao 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 SongQiang FengYong WangShengtao DingYun-Dong WuXinhao ZhangLung Wa Chung*, and Jianwei Sun*

 

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

Chem. Commun. 2019, 55, 12749-12764

 

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 ZhangTing WangXinhao Zhang*Shuo TongYun-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 HouChengjie SunHao GengKuan HuMingsheng XieYue MaFan 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*

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

 

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

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

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

 

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

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

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

 

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,

207. WDSPdb A Database for WD40-repeat Proteins

 

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*,†

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

 

 

 

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*,†

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

 

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*,†,∥

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

 

 

201. Inhibition and Mechanism of HDAC8 Revisited

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

201. Inhibition and Mechanism of HDAC8 Revisited

 

 

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*

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

 

 

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

Fan Jiang*,† and Yun-Dong Wu*,†,‡

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

 

 

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*,†,‡ 

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

 

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* 

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

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

196

 

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

SCBB_新闻_徐立平

 

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

JACS again, Congratulations to Gui-Juan, Yun-Fang, Ping, and Tian-Yu!

 

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

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

 

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

192

191. Computational Studies on the Mechanism of the Copper- Catalyzed sp3-C-H Cross-Dehydrogenative Coupling Reaction

Gui-Juan Cheng, Li-Juan Song, Yun-Fang Yang, Xinhao Zhang, Olaf Wiest and Yun-Dong Wu

Volume 78, Issue 9, pages 943–951,September 2013

191

190. A Method for WD40 Repeat Detection and Secondary Structure Prediction

Yang Wang, Fan Jiang, Zhu Zhuo, Xian-Hui Wu, Yun-Dong Wu

June 2013 | Volume 8 | Issue 6 | e65705

190

189. Computational Exploration of Zinc Binding Groups for HDAC Inhibition

Kai Chen, Liping Xu and Olaf Wiest

J. Org. Chem. 2013, 78, 5051−5055

189

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

Hong-Xin Liu, Kai Chen, Qian-Yun Sun, Fu-Mei Yang, Guang-Wan Hu, Yue-Hu Wang and Chun-Lin Long
J. Nat. Prod., 2013, 76 (4), pp 732–736

188

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

187

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

186

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

185

 

 

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

184

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

Ping Chen, Brenda A. Dougan, Xinhao Zhang, Yun-Dong Wu, Zi-Ling Xue

Polyhedron, 58 (2013) 30–38

183

182. Identifying the Hotspots on the Top Faces of WD40- Repeat Proteins from Their Primary Sequences by b- Bulges and DHSW Tetrads

Xian-Hui Wu, Yang Wang, Zhu Zhuo, Fan Jiang, Yun-Dong Wu

PLOS ONE, August 2012 | Volume 7 | Issue 8 | e43005

182.Identifying the Hotspots on the Top Faces of WD40- Repeat Proteins from Their Primary Sequences by b- Bulges and DHSW Tetrads

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