Yun-Dong Wu - Publications

Affiliations: 
Hong Kong University of Science and Technology (Hong Kong) 
Area:
Physical Chemistry, Biochemistry
Website:
http://scbb.pkusz.edu.cn/en/2013/ccsb_1007/15.html

147 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Kang W, Jiang F, Wu YD, Wales DJ. Multifunnel energy landscapes for phosphorylated translation repressor 4E-BP2 and its mutants. Journal of Chemical Theory and Computation. PMID 31774674 DOI: 10.1021/acs.jctc.9b01042  0.84
2019 Zhang Q, Wang T, Zhang X, Tong S, Wu YD, Wang MX. Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry. Journal of the American Chemical Society. PMID 31621320 DOI: 10.1021/jacs.9b10226  0.88
2019 Song L, Feng Q, Wang Y, Ding S, Wu YD, Zhang X, Chung LW, Sun J. Ru-Catalyzed Migratory Geminal Semi-Hydrogenation of Internal Alkynes to Terminal Olefins. Journal of the American Chemical Society. PMID 31596081 DOI: 10.1021/jacs.9b09658  0.88
2019 Cheng GJ, Zhong XM, Wu YD, Zhang X. Mechanistic understanding of catalysis by combining mass spectrometry and computation. Chemical Communications (Cambridge, England). PMID 31560354 DOI: 10.1039/c9cc05458h  0.88
2019 Ma J, An K, Zhou JB, Wu NS, Wang Y, Ye ZQ, Wu YD. WDSPdb: an updated resource for WD40 proteins. Bioinformatics (Oxford, England). PMID 31161214 DOI: 10.1093/bioinformatics/btz460  0.8
2019 Jiang H, Sun TY, Chen Y, Zhang X, Wu YD, Xie Y, Schaefer HF. Designing new Togni reagents by computation. Chemical Communications (Cambridge, England). PMID 31032500 DOI: 10.1039/c9cc01320b  0.88
2019 Jiang F, Wu HN, Kang W, Wu YD. Developments and Applications of Coil-library-based Residue-Specific Force Fields for Molecular Dynamics Simulations of Peptides and Proteins. Journal of Chemical Theory and Computation. PMID 30620582 DOI: 10.1021/acs.jctc.8b00794  0.84
2019 Wu SB, Zhang T, Chung LW, Wu YD. A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation. Organic Letters. PMID 30600680 DOI: 10.1021/acs.orglett.8b03463  0.88
2018 Gong L, Jiang HJ, Zhong XM, Yu J, Zhang Y, Zhang X, Wu YD. Assembling a Hybrid Pd-Catalyst from Chiral Anionic Co(III)-Complex and Ligand for Asymmetric C(sp3)-H Functionalization. Angewandte Chemie (International Ed. in English). PMID 30466177 DOI: 10.1002/anie.201812426  0.88
2018 Liu Z, Jiang F, Wu YD. Significantly Different Contact Patterns between Aβ40 and Aβ42 Monomers Involving the N-Terminal Region. Chemical Biology & Drug Design. PMID 30381893 DOI: 10.1111/cbdd.13431  0.84
2018 Wang T, Zhou L, Yang Y, Zhang X, Shi Z, Wu YD. Directing Effects on the Copper-Catalyzed Site-Selective Arylation of Indoles. Organic Letters. 20: 6502-6505. PMID 30336673 DOI: 10.1021/acs.orglett.8b02825  0.88
2018 Zhang L, Zhang X, Wu YD, Xie Y, Fukuto JM, Schaefer HF. The reaction of alkyl hydropersulfides (RSSH, R = CH and Bu) with HS in the gas phase and in aqueous solution. Physical Chemistry Chemical Physics : Pccp. PMID 30307004 DOI: 10.1039/c8cp05503c  0.88
2018 Shen C, Du Y, Qiao F, Kong T, Yuan L, Zhang D, Wu X, Li D, Wu YD. Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA. Scientific Reports. 8: 12965. PMID 30154510 DOI: 10.1038/s41598-018-31140-y  0.6
2018 Kang W, Jiang F, Wu YD. Universal Implementation of a Residue-Specific Force Field Based on CMAP Potentials and Free Energy Decomposition. Journal of Chemical Theory and Computation. PMID 29906395 DOI: 10.1021/acs.jctc.8b00285  0.84
2018 Zou XD, An K, Wu YD, Ye ZQ. PPI network analyses of human WD40 protein family systematically reveal their tendency to assemble complexes and facilitate the complex predictions. Bmc Systems Biology. 12: 41. PMID 29745845 DOI: 10.1186/s12918-018-0567-9  0.8
2018 Zhang Q, Liu Y, Wang T, Zhang X, Long C, Wu YD, Wang MX. Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions. Journal of the American Chemical Society. PMID 29629768 DOI: 10.1021/jacs.8b01896  0.88
2017 Jiang H, Sun TY, Wang X, Xie Y, Zhang X, Wu YD, Schaefer HF. A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment. Organic Letters. PMID 29166031 DOI: 10.1021/acs.orglett.7b03167  0.88
2017 Gao W, Lv H, Zhang T, Yang Y, Chung LW, Wu YD, Zhang X. Nickel-catalyzed asymmetric hydrogenation of β-acylamino nitroolefins: an efficient approach to chiral amines. Chemical Science. 8: 6419-false. PMID 29163927 DOI: 10.1039/c7sc02669b  0.88
2017 Zhang X, Chen K, Wu YD, Wiest O. Protein dynamics and structural waters in bromodomains. Plos One. 12: e0186570. PMID 29077715 DOI: 10.1371/journal.pone.0186570  0.88
2017 Hu XJ, Li T, Wang Y, Xiong Y, Wu XH, Zhang DL, Ye ZQ, Wu YD. Prokaryotic and Highly-Repetitive WD40 Proteins: A Systematic Study. Scientific Reports. 7: 10585. PMID 28878378 DOI: 10.1038/s41598-017-11115-1  0.84
2017 Wu HN, Jiang F, Wu YD. Significantly Improved Protein Folding Thermodynamics Using a Dispersion-Corrected Water Model and a New Residue-Specific Force Field. The Journal of Physical Chemistry Letters. PMID 28651056 DOI: 10.1021/acs.jpclett.7b01213  0.84
2017 Chen P, Zhang L, Xue ZL, Wu YD, Zhang X. Density Functional Theory Study of the Reaction between d(0) Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis. Inorganic Chemistry. PMID 28581727 DOI: 10.1021/acs.inorgchem.7b00713  0.88
2017 Zeng J, Jiang F, Wu YD. Mechanism of Phosphorylation-Induced Folding of 4E-BP2 Revealed by Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 13: 320-328. PMID 28068774 DOI: 10.1021/acs.jctc.6b00848  0.84
2016 Sun YH, Sun TY, Wu YD, Zhang X, Rao Y. A diversity-oriented synthesis of bioactive benzanilides a regioselective C(sp)-H hydroxylation strategy. Chemical Science. 7: 2229-2238. PMID 29910911 DOI: 10.1039/c5sc03905c  0.88
2016 Zou XD, Hu XJ, Ma J, Li T, Ye ZQ, Wu YD. Genome-wide Analysis of WD40 Protein Family in Human. Scientific Reports. 6: 39262. PMID 27991561 DOI: 10.1038/srep39262  0.8
2016 Zhang Q, Jiang F, Zhao B, Lin H, Tian Y, Xie M, Bai G, Gilbert AM, Goetz GH, Liras S, Mathiowetz AA, Price DA, Song K, Tu M, Wu Y, ... ... Wu YD, et al. Chiral Sulfoxide-Induced Single Turn Peptide α-Helicity. Scientific Reports. 6: 38573. PMID 27934919 DOI: 10.1038/srep38573  0.84
2016 Zhong XM, Cheng GJ, Chen P, Zhang X, Wu YD. Mechanistic Study on Pd/Mono-N-protected Amino Acid Catalyzed Vinyl-Vinyl Coupling Reactions: Reactivity and E/Z Selectivity. Organic Letters. PMID 27696873 DOI: 10.1021/acs.orglett.6b02542  0.88
2016 Zhao H, Liu QS, Geng H, Tian Y, Cheng M, Jiang YH, Xie MS, Niu XG, Jiang F, Zhang YO, Lao YZ, Wu YD, Xu NH, Li ZG. Crosslinked Aspartic Acids as Helix-Nucleating Templates. Angewandte Chemie (International Ed. in English). PMID 27572954 DOI: 10.1002/anie.201606833  0.84
2016 Xun S, Jiang F, Wu YD. Intrinsically disordered regions stabilize the helical form of the C-terminal domain of RfaH: A molecular dynamics study. Bioorganic & Medicinal Chemistry. PMID 27555285 DOI: 10.1016/j.bmc.2016.08.012  0.84
2016 Xu L, Zhang X, McCammant MS, Sigman MS, Wu YD, Wiest O. Mechanism and Selectivity in the Pd-Catalyzed Difunctionalization of Isoprene. The Journal of Organic Chemistry. PMID 27486829 DOI: 10.1021/acs.joc.6b01317  0.88
2016 Zhang X, Chung LW, Wu YD. New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry. Accounts of Chemical Research. PMID 27268125 DOI: 10.1021/acs.accounts.6b00093  1
2016 Song LJ, Ding S, Wang Y, Zhang X, Wu YD, Sun J. Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study. The Journal of Organic Chemistry. PMID 27232905 DOI: 10.1021/acs.joc.6b00854  1
2016 Yang YF, Houk KN, Wu YD. Computational Exploration of Rh(III)/Rh(V) and Rh(III)/Rh(I) Catalysis in Rhodium (III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes. Journal of the American Chemical Society. PMID 27177448 DOI: 10.1021/jacs.6b03424  0.84
2016 Hu K, Geng H, Zhang Q, Liu Q, Xie M, Sun C, Li W, Lin H, Jiang F, Wang T, Wu YD, Li Z. An In-tether Chiral Center Modulates the Helicity, Cell Permeability, and Target Binding Affinity of a Peptide. Angewandte Chemie (International Ed. in English). PMID 27167181 DOI: 10.1002/anie.201602806  1
2016 Geng H, Jiang F, Wu YD. Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields. The Journal of Physical Chemistry Letters. PMID 27128113 DOI: 10.1021/acs.jpclett.6b00452  0.84
2016 Liu L, Zhang T, Yang YF, Zhang-Negrerie D, Zhang X, Du Y, Wu YD, Zhao K. Metal-free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective1,2-Aryl Migration: An Experimental and Computational Study. The Journal of Organic Chemistry. PMID 27124770 DOI: 10.1021/acs.joc.6b00345  0.88
2016 Sun TY, Wang X, Geng H, Xie Y, Wu YD, Zhang X, Schaefer Iii HF. Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents. Chemical Communications (Cambridge, England). PMID 26932474 DOI: 10.1039/c6cc00384b  1
2015 Zeng J, Jiang F, Wu YD. Folding Simulations of an α-Helical Hairpin Motif αtα with Residue-Specific Force Fields. The Journal of Physical Chemistry. B. PMID 26673753 DOI: 10.1021/acs.jpcb.5b09027  1
2015 Xun S, Jiang F, Wu YD. Significant Refinement of Protein Structure Models Using a Residue-Specific Force Field. Journal of Chemical Theory and Computation. 11: 1949-56. PMID 26574396 DOI: 10.1021/acs.jctc.5b00029  0.84
2015 Zhou CY, Jiang F, Wu YD. Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field. Journal of Chemical Theory and Computation. 11: 5473-80. PMID 26574335 DOI: 10.1021/acs.jctc.5b00581  1
2015 Cheng GJ, Chen P, Sun TY, Zhang X, Yu JQ, Wu YD. A Combined IM-MS/DFT Study on [Pd(MPAA)]-Catalyzed Enantioselective CH Activation: Relay of Chirality through a Rigid Framework. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11180-8. PMID 26186414 DOI: 10.1002/chem.201501123  1
2015 Zou L, Wang XY, Zhang XX, Dai YZ, Wu YD, Wang JY, Pei J. Toward electron-deficient pyrene derivatives: construction of pyrene tetracarboxylic diimide containing five-membered imide rings. Chemical Communications (Cambridge, England). 51: 12585-8. PMID 26155001 DOI: 10.1039/c5cc04860e  1
2015 Ding S, Song LJ, Wang Y, Zhang X, Chung LW, Wu YD, Sun J. Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions. Angewandte Chemie (International Ed. in English). 54: 5632-5. PMID 25784284 DOI: 10.1002/anie.201500372  1
2015 Shi J, Wang T, Huang Y, Zhang X, Wu YD, Cai Q. 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. Organic Letters. 17: 840-3. PMID 25656954 DOI: 10.1021/ol5036613  0.88
2015 Elsayed SM, Phillips JB, Heller R, Thoenes M, Elsobky E, Nürnberg G, Nürnberg P, Seland S, Ebermann I, Altmüller J, Thiele H, Toliat M, Körber F, Hu XJ, Wu YD, et al. Non-manifesting AHI1 truncations indicate localized loss-of-function tolerance in a severe Mendelian disease gene. Human Molecular Genetics. 24: 2594-603. PMID 25616960 DOI: 10.1093/hmg/ddv022  0.8
2015 Cheng GJ, Zhang X, Chung LW, Xu L, Wu YD. Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions. Journal of the American Chemical Society. 137: 1706-25. PMID 25568962 DOI: 10.1021/ja5112749  1
2015 Zhou CY, Jiang F, Wu YD. Residue-specific force field based on protein coil library. RSFF2: modification of AMBER ff99SB. The Journal of Physical Chemistry. B. 119: 1035-47. PMID 25358113 DOI: 10.1021/jp5064676  0.84
2015 Wang Y, Hu XJ, Zou XD, Wu XH, Ye ZQ, Wu YD. WDSPdb: a database for WD40-repeat proteins. Nucleic Acids Research. 43: D339-44. PMID 25348404 DOI: 10.1093/nar/gku1023  0.84
2014 Hilton MJ, Xu LP, Norrby PO, Wu YD, Wiest O, Sigman MS. Investigating the nature of palladium chain-walking in the enantioselective redox-relay Heck reaction of alkenyl alcohols. The Journal of Organic Chemistry. 79: 11841-50. PMID 25186804 DOI: 10.1021/jo501813d  1
2014 Yang YF, Chung LW, Zhang X, Houk KN, Wu YD. Ligand-controlled reactivity, selectivity, and mechanism of cationic ruthenium-catalyzed hydrosilylations of alkynes, ketones, and nitriles: a theoretical study. The Journal of Organic Chemistry. 79: 8856-64. PMID 25157438 DOI: 10.1021/jo501730n  1
2014 Chen K, Zhang X, Wu YD, Wiest O. Inhibition and mechanism of HDAC8 revisited. Journal of the American Chemical Society. 136: 11636-43. PMID 25060069 DOI: 10.1021/ja501548p  0.88
2014 Zhou F, Cheng GJ, Yang W, Long Y, Zhang S, Wu YD, Zhang X, Cai Q. Enantioselective formation of cyano-bearing all-carbon quaternary stereocenters: desymmetrization by copper-catalyzed N-arylation. Angewandte Chemie (International Ed. in English). 53: 9555-9. PMID 25045110 DOI: 10.1002/anie.201405575  0.88
2014 Jiang F, Wu YD. Folding of fourteen small proteins with a residue-specific force field and replica-exchange molecular dynamics. Journal of the American Chemical Society. 136: 9536-9. PMID 24953084 DOI: 10.1021/ja502735c  1
2014 Sun H, Wang C, Yang YF, Chen P, Wu YD, Zhang X, Huang Y. Synthesis of indolo[2,1-a]isoquinolines via a triazene-directed C-H annulation cascade. The Journal of Organic Chemistry. 79: 11863-72. PMID 24820526 DOI: 10.1021/jo500807d  0.88
2014 Jiang F, Zhou CY, Wu YD. Residue-specific force field based on the protein coil library. RSFF1: modification of OPLS-AA/L. The Journal of Physical Chemistry. B. 118: 6983-98. PMID 24815738 DOI: 10.1021/jp5017449  0.84
2014 Wu Y, Hu J. [Key immune cells and cytokines in the pathogenesis of acute graft-versus-host disease]. Zhonghua Xue Ye Xue Za Zhi = Zhonghua Xueyexue Zazhi. 35: 77-81. PMID 24602744 DOI: 10.3760/cma.j.issn.0253-2727.2014.01.024  1
2014 Cheng GJ, Yang YF, Liu P, Chen P, Sun TY, Li G, Zhang X, Houk KN, Yu JQ, Wu YD. Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes. Journal of the American Chemical Society. 136: 894-7. PMID 24410499 DOI: 10.1021/ja411683n  1
2014 Xu L, Hilton MJ, Zhang X, Norrby PO, Wu YD, Sigman MS, Wiest O. Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols. Journal of the American Chemical Society. 136: 1960-7. PMID 24410393 DOI: 10.1021/ja4109616  1
2014 Yang YF, Cheng GJ, Liu P, Leow D, Sun TY, Chen P, Zhang X, Yu JQ, Wu YD, Houk KN. Palladium-catalyzed meta-selective C-H bond activation with a nitrile-containing template: computational study on mechanism and origins of selectivity. Journal of the American Chemical Society. 136: 344-55. PMID 24313742 DOI: 10.1021/ja410485g  1
2014 Yang X. China’s central region: Development and recent strategies China's Evolving Industrial Policies and Economic Restructuring. 241-258. DOI: 10.4324/9781315819082  1
2013 Ding S, Song LJ, Chung LW, Zhang X, Sun J, Wu YD. Ligand-controlled remarkable regio- and stereodivergence in intermolecular hydrosilylation of internal alkynes: experimental and theoretical studies. Journal of the American Chemical Society. 135: 13835-42. PMID 23971888 DOI: 10.1021/ja405752w  1
2013 Wang Y, Jiang F, Zhuo Z, Wu XH, Wu YD. A method for WD40 repeat detection and secondary structure prediction. Plos One. 8: e65705. PMID 23776530 DOI: 10.1371/journal.pone.0065705  0.84
2013 Jiang F, Han W, Wu YD. The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development. Physical Chemistry Chemical Physics : Pccp. 15: 3413-28. PMID 23385383 DOI: 10.1039/c2cp43633g  1
2012 Wan CK, Han W, Wu YD. Parameterization of PACE Force Field for Membrane Environment and Simulation of Helical Peptides and Helix-Helix Association. Journal of Chemical Theory and Computation. 8: 300-13. PMID 26592891 DOI: 10.1021/ct2004275  1
2012 Zhao K, Cheng GJ, Yang H, Shang H, Zhang X, Wu YD, Tang Y. Total synthesis of incarvilleatone and incarviditone: insight into their biosynthetic pathways and structure determination. Organic Letters. 14: 4878-81. PMID 22946510 DOI: 10.1021/ol302205w  0.88
2012 Wu XH, Wang Y, Zhuo Z, Jiang F, Wu YD. Identifying the hotspots on the top faces of WD40-repeat proteins from their primary sequences by β-bulges and DHSW tetrads. Plos One. 7: e43005. PMID 22916195 DOI: 10.1371/journal.pone.0043005  0.84
2012 Peng Q, Yan H, Zhang X, Wu YD. Conjugate addition vs Heck reaction: a theoretical study on competitive coupling catalyzed by isoelectronic metal (Pd(II) and Rh(I)). The Journal of Organic Chemistry. 77: 7487-96. PMID 22876853 DOI: 10.1021/jo301319j  0.88
2012 Yang YF, Cheng GJ, Zhu J, Zhang X, Inoue S, Wu YD. Silicon-containing formal 4π-electron four-membered ring systems: antiaromatic, aromatic, or nonaromatic? Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 7516-24. PMID 22532432 DOI: 10.1002/chem.201103443  0.88
2011 Chen JP, Peng Q, Lei BL, Hou XL, Wu YD. Chemo- and regioselectivity-tunable Pd-catalyzed allylic alkylation of imines. Journal of the American Chemical Society. 133: 14180-3. PMID 21827171 DOI: 10.1021/ja2039503  0.84
2011 Chen K, Wang ZC, Schlangen M, Wu YD, Zhang X, Schwarz H. Thermal activation of methane and ethene by bare MO·+ (M=Ge, Sn, and Pb): a combined theoretical/experimental study. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 9619-25. PMID 21818815 DOI: 10.1002/chem.201101538  1
2011 Yang YF, Shi T, Zhang XH, Tang ZX, Wen ZY, Quan JM, Wu YD. Theoretical studies on the mechanism and stereoselectivity of Rh(Phebox)-catalyzed asymmetric reductive aldol reaction. Organic & Biomolecular Chemistry. 9: 5845-55. PMID 21743899 DOI: 10.1039/c1ob05501a  1
2011 Chen B, Hou XL, Li YX, Wu YD. Mechanistic understanding of the unexpected meta selectivity in copper-catalyzed anilide C-H bond arylation. Journal of the American Chemical Society. 133: 7668-71. PMID 21520975 DOI: 10.1021/ja201425e  0.64
2011 Da LT, Quan JM, Wu YD. Understanding the binding mode and function of BMS-488043 against HIV-1 viral entry. Proteins. 79: 1810-9. PMID 21465559 DOI: 10.1002/prot.23005  1
2011 Da LT, Wu YD. Theoretical studies on the interactions and interferences of HIV-1 glycoprotein gp120 and its coreceptor CCR5. Journal of Chemical Information and Modeling. 51: 359-69. PMID 21284403 DOI: 10.1021/ci1003448  1
2010 Han W, Wan CK, Wu YD. PACE Force Field for Protein Simulations. 2. Folding Simulations of Peptides. Journal of Chemical Theory and Computation. 6: 3390-402. PMID 26617093 DOI: 10.1021/ct100313a  1
2010 Han W, Wan CK, Jiang F, Wu YD. PACE Force Field for Protein Simulations. 1. Full Parameterization of Version 1 and Verification. Journal of Chemical Theory and Computation. 6: 3373-89. PMID 26617092 DOI: 10.1021/ct1003127  0.84
2010 Wu XH, Chen RC, Gao Y, Wu YD. The effect of Asp-His-Ser/Thr-Trp tetrad on the thermostability of WD40-repeat proteins. Biochemistry. 49: 10237-45. PMID 20939513 DOI: 10.1021/bi101321y  0.84
2010 Wu XH, Zou GL, Quan JM, Wu YD. A theoretical study on the catalytic mechanism of Mus musculus adenosine deaminase. Journal of Computational Chemistry. 31: 2238-47. PMID 20575011 DOI: 10.1002/jcc.21513  0.84
2010 Jiang F, Han W, Wu YD. Influence of side chain conformations on local conformational features of amino acids and implication for force field development. The Journal of Physical Chemistry. B. 114: 5840-50. PMID 20392111 DOI: 10.1021/jp909088e  1
2010 Lan Y, Wang C, Sowa JR, Wu YD. A theoretical investigation on the mechanism of a palladium-mediated formal 6pi electrocyclic synthesis of 9,10-dihydrophenanthrenes. The Journal of Organic Chemistry. 75: 951-4. PMID 20039689 DOI: 10.1021/jo902163v  0.88
2010 Liu HL, Peng Q, Wu YD, Chen D, Hou XL, Sabat M, Pu L. Highly enantioselective recognition of structurally diverse alpha-hydroxycarboxylic acids using a fluorescent sensor. Angewandte Chemie (International Ed. in English). 49: 602-6. PMID 20014266 DOI: 10.1002/anie.200904889  0.84
2010 Wu XH, Zhang H, Wu YD. Is Asp-His-Ser/Thr-Trp tetrad hydrogen-bond network important to WD40-repeat proteins: a statistical and theoretical study. Proteins. 78: 1186-94. PMID 19927323 DOI: 10.1002/prot.22638  1
2009 Da LT, Quan JM, Wu YD. Understanding of the bridging sheet formation of HIV-1 glycoprotein gp120. The Journal of Physical Chemistry. B. 113: 14536-43. PMID 19813706 DOI: 10.1021/jp9081239  0.92
2009 Zuo CS, Wiest O, Wu YD. Parameterization and validation of solvation corrected atomic radii. The Journal of Physical Chemistry. A. 113: 12028-34. PMID 19719098 DOI: 10.1021/jp905865g  1
2009 Liu Q, Lan Y, Liu J, Li G, Wu YD, Lei A. Revealing a second transmetalation step in the Negishi coupling and its competition with reductive elimination: improvement in the interpretation of the mechanism of biaryl syntheses. Journal of the American Chemical Society. 131: 10201-10. PMID 19572717 DOI: 10.1021/ja903277d  0.84
2009 Jiang M, Chen X, Wu XH, Chen M, Wu YD, Guo Z. Catalytic mechanism of SHCHC synthase in the menaquinone biosynthesis of Escherichia coli: identification and mutational analysis of the active site residues. Biochemistry. 48: 6921-31. PMID 19545176 DOI: 10.1021/bi900897h  0.84
2009 Lan Y, Deng L, Liu J, Wang C, Wiest O, Yang Z, Wu YD. On the mechanism of the palladium catalyzed intramolecular Pauson-Khand-type reaction. The Journal of Organic Chemistry. 74: 5049-58. PMID 19469502 DOI: 10.1021/jo900919v  0.88
2009 Qiu H, Chen SJ, Wang CS, Wu YD, Guzei IA, Chen XT, Xue ZL. Synthesis and characterization of siloxy, aminoxy, and oxo complexes from the reaction of a tantalum amide silyl complex with oxygen. Inorganic Chemistry. 48: 3073-9. PMID 19245230 DOI: 10.1021/ic802380u  0.76
2008 Han W, Wan CK, Wu YD. Toward a Coarse-Grained Protein Model Coupled with a Coarse-Grained Solvent Model: Solvation Free Energies of Amino Acid Side Chains. Journal of Chemical Theory and Computation. 4: 1891-901. PMID 26620333 DOI: 10.1021/ct800184c  1
2008 Wu YD, Gellman S. Peptidomimetics. Accounts of Chemical Research. 41: 1231-2. PMID 18937394 DOI: 10.1021/ar800216e  0.88
2008 Yan XX, Peng Q, Li Q, Zhang K, Yao J, Hou XL, Wu YD. Highly diastereoselective switchable enantioselective Mannich reaction of glycine derivatives with imines. Journal of the American Chemical Society. 130: 14362-3. PMID 18841892 DOI: 10.1021/ja804527r  0.84
2008 Wu YD, Han W, Wang DP, Gao Y, Zhao YL. Theoretical analysis of secondary structures of beta-peptides. Accounts of Chemical Research. 41: 1418-27. PMID 18828608 DOI: 10.1021/ar800070b  0.96
2008 Li X, Wu YD, Yang D. Alpha-aminoxy acids: new possibilities from foldamers to anion receptors and channels. Accounts of Chemical Research. 41: 1428-38. PMID 18785763 DOI: 10.1021/ar8001393  0.72
2008 Wu WQ, Peng Q, Dong DX, Hou XL, Wu YD. A dramatic switch of enantioselectivity in asymmetric heck reaction by benzylic substituents of ligands. Journal of the American Chemical Society. 130: 9717-25. PMID 18590334 DOI: 10.1021/ja7104174  0.84
2008 Han W, Xiong H, Wu YD. In silico study on the effect of F19T mutation on amyloid-beta peptide (10-35). Frontiers in Bioscience : a Journal and Virtual Library. 13: 3951-65. PMID 18508489 DOI: 10.2741/2983  1
2008 Chung LW, Wiest O, Wu YD. A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes. The Journal of Organic Chemistry. 73: 2649-55. PMID 18324834 DOI: 10.1021/jo702582j  1
2008 Zhang K, Peng Q, Hou XL, Wu YD. Highly enantioselective palladium-catalyzed alkylation of acyclic amides. Angewandte Chemie (International Ed. in English). 47: 1741-4. PMID 18214868 DOI: 10.1002/anie.200704629  0.84
2008 Zhang XH, Chung LW, Lin Z, Wu YD. A DFT study on the mechanism of hydrosilylation of unsaturated compounds with neutral hydrido(hydrosilylene)tungsten complex. The Journal of Organic Chemistry. 73: 820-9. PMID 18161983 DOI: 10.1021/jo701649m  1
2008 Chen F, Song KS, Wu YD, Yang D. Synthesis and conformational studies of gamma-aminoxy peptides. Journal of the American Chemical Society. 130: 743-55. PMID 18088122 DOI: 10.1021/ja0772750  0.72
2007 Han W, Wu YD. Coarse-Grained Protein Model Coupled with a Coarse-Grained Water Model:  Molecular Dynamics Study of Polyalanine-Based Peptides. Journal of Chemical Theory and Computation. 3: 2146-61. PMID 26636208 DOI: 10.1021/ct700151x  1
2007 Chen SJ, Zhang XH, Yu X, Qiu H, Yap GP, Guzei IA, Lin Z, Wu YD, Xue ZL. Reaction of Ta(NMe2)5 with O2: formation of aminoxy and unusual (aminomethyl)amide oxo complexes and theoretical studies of the mechanistic pathways. Journal of the American Chemical Society. 129: 14408-21. PMID 17967019 DOI: 10.1021/ja075076a  1
2007 Zuo CS, Quan JM, Wu YD. Oxa-bicyclocalixarenes: a new cage for anions via C-H...anion hydrogen bonds and anion...pi interactions. Organic Letters. 9: 4219-22. PMID 17854194 DOI: 10.1021/ol701740p  1
2007 Wu XH, Quan JM, Wu YD. Theoretical study of the catalytic mechanism and metal-ion dependence of peptide deformylase. The Journal of Physical Chemistry. B. 111: 6236-44. PMID 17497768 DOI: 10.1021/jp068611m  0.84
2007 Liu HC, Zhang XH, Wang C, Wu YD, Yang S. Pyridyne radical cations produced by photodissociation of Mg*+ (multifluoro-pyridine) complexes: a combined experimental and theoretical study. Physical Chemistry Chemical Physics : Pccp. 9: 607-15. PMID 17242742 DOI: 10.1039/b614445d  1
2007 Han W, Wu YD. Molecular dynamics studies of hexamers of amyloid-beta peptide (16-35) and its mutants: influence of charge states on amyloid formation. Proteins. 66: 575-87. PMID 17115426 DOI: 10.1002/prot.21232  1
2006 Li CC, Wang CH, Liang B, Zhang XH, Deng LJ, Liang S, Chen JH, Wu YD, Yang Z. Synthetic study of 1,3-butadiene-based IMDA approach to construct a [5-7-6] tricyclic core and its application to the total synthesis of C8-epi-guanacastepene O. The Journal of Organic Chemistry. 71: 6892-7. PMID 16930042 DOI: 10.1021/jo060996h  1
2006 Chung LW, Lee HG, Lin Z, Wu YD. Computational study on the reaction mechanism of hydrosilylation of carbonyls catalyzed by high-valent rhenium(V)-di-oxo complexes. The Journal of Organic Chemistry. 71: 6000-9. PMID 16872182 DOI: 10.1021/jo060654b  0.88
2006 Xu HJ, Liu YC, Fu Y, Wu YD. Catalytic hydrogenation of alpha,beta-epoxy ketones to form beta-hydroxy ketones mediated by an NADH coenzyme model. Organic Letters. 8: 3449-51. PMID 16869632 DOI: 10.1021/ol0610892  0.72
2006 Deng XM, Cai P, Ye S, Sun XL, Liao WW, Li K, Tang Y, Wu YD, Dai LX. Enantioselective synthesis of vinylcyclopropanes and vinylepoxides mediated by camphor-derived sulfur ylides: rationale of enantioselectivity, scope, and limitation. Journal of the American Chemical Society. 128: 9730-40. PMID 16866528 DOI: 10.1021/ja056751o  0.72
2006 Lin H, Chen Q, Cao L, Yang L, Wu YD, Li C. Effect of M(CO)3 (M = Cr, Mn+) on aromatic C-Cl BDE in (eta6-ArCl)M(CO)3 complexes. The Journal of Organic Chemistry. 71: 3328-31. PMID 16599643 DOI: 10.1021/jo060154i  0.72
2006 Zhang X, Du H, Wang Z, Wu YD, Ding K. Experimental and theoretical studies on the hydrogen-bond-promoted enantioselective hetero-Diels-Alder reaction of Danishefsky's diene with benzaldehyde. The Journal of Organic Chemistry. 71: 2862-9. PMID 16555843 DOI: 10.1021/jo060129c  0.88
2006 Yan XX, Peng Q, Zhang Y, Zhang K, Hong W, Hou XL, Wu YD. A highly enantio- and diastereoselective Cu-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with nitroalkenes. Angewandte Chemie (International Ed. in English). 45: 1979-83. PMID 16491503 DOI: 10.1002/anie.200503672  0.88
2005 Liu HC, Zhang XH, Wu YD, Yang S. Fluorine-substitution induced switching of dissociation patterns of C6H4*+ produced by photoelimination of MgF2 from the complexes of mg*+ (multifluorobenzene). Physical Chemistry Chemical Physics : Pccp. 7: 826-31. PMID 19791368  1
2005 Han W, Wu YD. A strand-loop-strand structure is a possible intermediate in fibril elongation: long time simulations of amyloid-beta peptide (10-35). Journal of the American Chemical Society. 127: 15408-16. PMID 16262404 DOI: 10.1021/ja051699h  1
2005 Li CC, Liang S, Zhang XH, Xie ZX, Chen JH, Wu YD, Yang Z. Exploring an expedient IMDA reaction approach to construct the guanacastepene core. Organic Letters. 7: 3709-12. PMID 16092856 DOI: 10.1021/ol051312f  1
2005 Wang R, Zhang XH, Chen SJ, Yu X, Wang CS, Beach DB, Wu YD, Xue ZL. Reactions of d0 group 4 amides with dioxygen. Preparation of unusual oxo aminoxy complexes and theoretical studies of their formation. Journal of the American Chemical Society. 127: 5204-11. PMID 15810856 DOI: 10.1021/ja042307u  1
2005 Yang D, Li X, Sha Y, Wu YD. A cyclic hexapeptide comprising alternating alpha-aminoxy and alpha-amino acids is a selective chloride ion receptor. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 3005-9. PMID 15761910 DOI: 10.1002/chem.200500098  0.72
2005 Zhang XH, Wu YD. A theoretical study on the mechanism of the reductive half-reaction of xanthine oxidase. Inorganic Chemistry. 44: 1466-71. PMID 15732988 DOI: 10.1021/ic048730l  1
2005 Liu L, Chen Q, Wu YD, Li C. 8-endo versus 7-exo cyclization of alpha-carbamoyl radicals. A combination of experimental and theoretical studies. The Journal of Organic Chemistry. 70: 1539-44. PMID 15730271 DOI: 10.1021/jo0481349  0.72
2005 Yu ZX, Dang Q, Wu YD. Clarification of the mechanism of the cascade reactions between amino-substituted heterocycles and 1,3,5-triazines. The Journal of Organic Chemistry. 70: 998-1005. PMID 15675860 DOI: 10.1021/jo049248n  1
2004 Yang D, Zhang DW, Hao Y, Wu YD, Luo SW, Zhu NY. Beta 2,3-cyclic aminoxy acids: rigid and ring-size-independent building blocks of foldamers. Angewandte Chemie (International Ed. in English). 43: 6719-22. PMID 15593152 DOI: 10.1002/anie.200454140  0.72
2004 Miao W, Chung LW, Wu YD, Chan TH. Experimental and theoretical studies of the propargyl-allenylindium system. Journal of the American Chemical Society. 126: 13326-34. PMID 15479088 DOI: 10.1021/ja049241n  0.88
2004 Morton LA, Zhang XH, Wang R, Lin Z, Wu YD, Xue ZL. An unusual exchange between alkylidyne alkyl and bis(alkylidene) tungsten complexes promoted by phosphine coordination: kinetic, thermodynamic, and theoretical studies. Journal of the American Chemical Society. 126: 10208-9. PMID 15315409 DOI: 10.1021/ja0467263  1
2004 Yang D, Zhang YH, Li B, Zhang DW, Chan JC, Zhu NY, Luo SW, Wu YD. Effect of side chains on turns and helices in peptides of beta3-aminoxy acids. Journal of the American Chemical Society. 126: 6956-66. PMID 15174865 DOI: 10.1021/ja049976s  0.72
2004 Tang Z, Jiang F, Cui X, Gong LZ, Mi AQ, Jiang YZ, Wu YD. Enantioselective direct aldol reactions catalyzed by L-prolinamide derivatives. Proceedings of the National Academy of Sciences of the United States of America. 101: 5755-60. PMID 15079057 DOI: 10.1073/pnas.0307176101  0.84
2004 Zhang HL, Jiang F, Zhang XM, Cui X, Gong LZ, Mi AQ, Jiang YZ, Wu YD. Modification of (1R,2S)-1,2-diphenyl-2-aminoethanol for the highly enantioselective, asymmetric alkylation of N-diphenylphosphinoyl arylimines with dialkylzinc. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 1481-92. PMID 15034892 DOI: 10.1002/chem.200305418  0.84
2003 Yang D, Qu J, Li W, Wang DP, Ren Y, Wu YD. A reverse turn structure induced by a D,L-alpha-aminoxy acid dimer. Journal of the American Chemical Society. 125: 14452-7. PMID 14624594 DOI: 10.1021/ja029514j  0.8
2003 Yang D, Li W, Qu J, Luo SW, Wu YD. A new strategy to induce gamma-turns: peptides composed of alternating alpha-aminoxy acids and alpha-amino acids. Journal of the American Chemical Society. 125: 13018-9. PMID 14570462 DOI: 10.1021/ja036136p  0.72
2003 Liu HC, Yang S, Zhang XH, Wu YD. Unusual chemistry of the complex Mg*+(2-fluoropyridine) activated by the photoexcitation of Mg*+. Journal of the American Chemical Society. 125: 12351-7. PMID 14519021 DOI: 10.1021/ja036476a  1
2003 Chung LW, Wu YD, Trost BM, Ball ZT. A theoretical study on the mechanism, regiochemistry, and stereochemistry of hydrosilylation catalyzed by cationic ruthenium complexes. Journal of the American Chemical Society. 125: 11578-82. PMID 13129361 DOI: 10.1021/ja034833b  1
2003 Wang GW, Zhang XH, Zhan H, Guo QX, Wu YD. Accurate calculation, prediction, and assignment of 3He NMR chemical shifts of helium-3-encapsulated fullerenes and fullerene derivatives. The Journal of Organic Chemistry. 68: 6732-8. PMID 12919041 DOI: 10.1021/jo0341259  1
2003 Yu ZX, Wu YD. An S(N)2-like transition state for alkene episulfidation by dinitrogen sulfide. The Journal of Organic Chemistry. 68: 6049-52. PMID 12868948 DOI: 10.1021/jo034027n  1
2003 Tang Z, Jiang F, Yu LT, Cui X, Gong LZ, Mi AQ, Jiang YZ, Wu YD. Novel small organic molecules for a highly enantioselective direct aldol reaction. Journal of the American Chemical Society. 125: 5262-3. PMID 12720423 DOI: 10.1021/ja034528q  0.84
2003 Yu ZX, Wu YD. A DFT study of the mechanisms and regio- and stereochemistry of the lewis acid-catalyzed reactions of 5-alkoxyoxazoles with aldehydes: aryl substitution at the 2-position of 5-alkoxyoxazole is critical to the formation of 4-alkoxycarbonyl-2-oxazoline. The Journal of Organic Chemistry. 68: 421-32. PMID 12530868 DOI: 10.1021/jo0263317  1
2003 Yu ZX, Wu YD. A theoretical study of the mechanisms and regiochemistry of the reactions of 5-alkoxyoxazole with thioaldehydes, nitroso compounds, and aldehydes. The Journal of Organic Chemistry. 68: 412-20. PMID 12530867 DOI: 10.1021/jo026330e  1
2002 Lin JQ, Luo SW, Wu YD. Theoretical study of sheets formed by beta-peptides. Journal of Computational Chemistry. 23: 1551-8. PMID 12395424 DOI: 10.1002/jcc.10136  0.64
2002 Yang D, Qu J, Li W, Zhang YH, Ren Y, Wang DP, Wu YD. Cyclic hexapeptide of D,L-alpha-aminoxy acids as a selective receptor for chloride ion. Journal of the American Chemical Society. 124: 12410-1. PMID 12381172  0.8
2002 Jiang H, Liu YC, Li J, Wang GW, Wu YD, Wang QM, Mak TC. Novel photo-induced coupling reaction of 9-fluorenylidenemalononitrile with 10-methyl-9,10-dihydroacridine. Chemical Communications (Cambridge, England). 882-3. PMID 12123026  0.76
2002 Liu HC, Wang CS, Guo W, Wu YD, Yang S. Formation and decomposition of distonic o-, m-, and p-benzyne radical cations from photolysis of Mg(+)(o-, m-, p-C(6)H(4)F(2)). Journal of the American Chemical Society. 124: 3794-8. PMID 11929271  1
2002 Zhao YL, Wu YD. A theoretical study of beta-sheet models: is the formation of hydrogen-bond networks cooperative? Journal of the American Chemical Society. 124: 1570-1. PMID 11853419 DOI: 10.1021/ja016230a  1
2001 Yu ZX, Dang Q, Wu YD. Aromatic dienophiles. 1. A theoretical study of an inverse-electron demand Diels-Alder reaction between 2-aminopyrrole and 1,3,5-triazine. The Journal of Organic Chemistry. 66: 6029-36. PMID 11529728 DOI: 10.1021/jo010243p  1
2001 Wu YD, Zhao YL. A theoretical study on the origin of cooperativity in the formation of 3(10)- and alpha-helices. Journal of the American Chemical Society. 123: 5313-9. PMID 11457394 DOI: 10.1021/ja003482n  1
2001 Wu YD, Yu ZX. A theoretical study on the mechanism and diastereoselectivity of the Kulinkovich hydroxycyclopropanation reaction. Journal of the American Chemical Society. 123: 5777-86. PMID 11403612 DOI: 10.1021/ja010114q  0.88
2001 Wu YD, Wang DF, Sessler JL. Conformational features and anion-binding properties of calix[4]pyrrole: a theoretical study. The Journal of Organic Chemistry. 66: 3739-46. PMID 11374992 DOI: 10.1021/jo0016273  1
1996 Wu YD, Lai DK. A Density Functional Study of Substituent Effects on the O-H and O-CH(3) Bond Dissociation Energies in Phenol and Anisole. The Journal of Organic Chemistry. 61: 7904-7910. PMID 11667750  0.52
1996 Wu YD, Wong CL, Chan KW, Ji GZ, Jiang XK. Substituent Effects on the C-H Bond Dissociation Energy of Toluene. A Density Functional Study. The Journal of Organic Chemistry. 61: 746-750. PMID 11666999  0.32
1986 Houk KN, Paddon-Row MN, Rondan NG, Wu YD, Brown FK, Spellmeyer DC, Metz JT, Li Y, Loncharich RJ. Theory and modeling of stereoselective organic reactions. Science (New York, N.Y.). 231: 1108-17. PMID 3945819  0.84
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