These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

176 related articles for article (PubMed ID: 22753502)

  • 1. Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.
    Black K; Liu P; Xu L; Doubleday C; Houk KN
    Proc Natl Acad Sci U S A; 2012 Aug; 109(32):12860-5. PubMed ID: 22753502
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition.
    Yang Z; Yang S; Yu P; Li Y; Doubleday C; Park J; Patel A; Jeon BS; Russell WK; Liu HW; Russell DH; Houk KN
    Proc Natl Acad Sci U S A; 2018 Jan; 115(5):E848-E855. PubMed ID: 29348209
    [TBL] [Abstract][Full Text] [Related]  

  • 3. ReaxFF molecular dynamics simulations of the initial pyrolysis mechanism of unsaturated triglyceride.
    Zhang Z; Yan K; Zhang J
    J Mol Model; 2014 Mar; 20(3):2127. PubMed ID: 24567153
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Revisiting the concept of the (a)synchronicity of Diels-Alder reactions based on the dynamics of quasiclassical trajectories.
    de Souza MA; Ventura E; do Monte SA; Riveros JM; Longo RL
    J Comput Chem; 2016 Mar; 37(8):701-11. PubMed ID: 26575321
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Shape complementarity, binding-site dynamics, and transition state stabilization: a theoretical study of Diels-Alder catalysis by antibody 1E9.
    Chen J; Deng Q; Wang R; Houk K; Hilvert D
    Chembiochem; 2000 Nov; 1(4):255-61. PubMed ID: 11828417
    [TBL] [Abstract][Full Text] [Related]  

  • 6. QM/QM' Direct Molecular Dynamics of Water-Accelerated Diels-Alder Reaction.
    Liu F; Yang Z; Mei Y; Houk KN
    J Phys Chem B; 2016 Jul; 120(26):6250-4. PubMed ID: 27092967
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels-Alder Reaction.
    Han X; Zhang J; Yang YI; Zhang Z; Yang L; Gao YQ
    J Chem Theory Comput; 2022 Jul; 18(7):4318-4326. PubMed ID: 35666128
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Activation of the Unreactive Bond in C
    Li Z; Jiang Y; Wu Y; Wang Z
    Chem Asian J; 2020 Oct; 15(19):3096-3103. PubMed ID: 32757242
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Distortion-Controlled Reactivity and Molecular Dynamics of Dehydro-Diels-Alder Reactions.
    Yu P; Yang Z; Liang Y; Hong X; Li Y; Houk KN
    J Am Chem Soc; 2016 Jul; 138(26):8247-52. PubMed ID: 27286801
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical and structural analysis of long C-C bonds in the adducts of polycyanoethylene and anthracene derivatives and their connection to the reversibility of Diels-Alder reactions.
    Hirsch AK; Reutenauer P; Le Moignan M; Ulrich S; Boul PJ; Harrowfield JM; Jarowski PD; Lehn JM
    Chemistry; 2014 Jan; 20(4):1073-80. PubMed ID: 24339005
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and Diels-Alder cycloadditions of aromatic molecules.
    Hayden AE; Houk KN
    J Am Chem Soc; 2009 Mar; 131(11):4084-9. PubMed ID: 19256544
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Methyl substituent effects in radical cation Diels-Alder reactions.
    Valley NA; Wiest O
    J Org Chem; 2007 Jan; 72(2):559-66. PubMed ID: 17221974
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
    Siegel JB; Zanghellini A; Lovick HM; Kiss G; Lambert AR; St Clair JL; Gallaher JL; Hilvert D; Gelb MH; Stoddard BL; Houk KN; Michael FE; Baker D
    Science; 2010 Jul; 329(5989):309-13. PubMed ID: 20647463
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structural Investigations into the retro-Diels-Alder Reaction. Experimental and Theoretical Studies.
    Birney D; Lim TK; Koh JH; Pool BR; White JM
    J Am Chem Soc; 2002 May; 124(18):5091-9. PubMed ID: 11982374
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theory of divalent main group H2 activation: electronics and quasiclassical trajectories.
    Devarajan D; Doubleday CE; Ess DH
    Inorg Chem; 2013 Aug; 52(15):8820-33. PubMed ID: 23837687
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate prediction of rate constants of Diels-Alder reactions and application to design of Diels-Alder ligation.
    Tang SY; Shi J; Guo QX
    Org Biomol Chem; 2012 Apr; 10(13):2673-82. PubMed ID: 22370563
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conformational selectivity in the diels-alder cycloaddition: predictions for reactions of s-trans-1,3-butadiene.
    Bradley AZ; Kociolek MG; Johnson RP
    J Org Chem; 2000 Oct; 65(21):7134-8. PubMed ID: 11031040
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical elucidation of the origins of substituent and strain effects on the rates of Diels-Alder reactions of 1,2,4,5-tetrazines.
    Liu F; Liang Y; Houk KN
    J Am Chem Soc; 2014 Aug; 136(32):11483-93. PubMed ID: 25041719
    [TBL] [Abstract][Full Text] [Related]  

  • 19. "Concerted" transition state, stepwise mechanism. Dynamics effects in C2-C6 enyne allene cyclizations.
    Bekele T; Christian CF; Lipton MA; Singleton DA
    J Am Chem Soc; 2005 Jun; 127(25):9216-23. PubMed ID: 15969600
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Direct dynamics simulation of dioxetane formation and decomposition via the singlet ·O-O-CH2-CH2· biradical: non-RRKM dynamics.
    Sun R; Park K; de Jong WA; Lischka H; Windus TL; Hase WL
    J Chem Phys; 2012 Jul; 137(4):044305. PubMed ID: 22852616
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.