BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

253 related articles for article (PubMed ID: 16776519)

  • 1. Medium effects on the decarboxylation of a biotin model in pure and mixed solvents from QM/MM simulations.
    Acevedo O; Jorgensen WL
    J Org Chem; 2006 Jun; 71(13):4896-902. PubMed ID: 16776519
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Influence of inter- and intramolecular hydrogen bonding on kemp decarboxylations from QM/MM simulations.
    Acevedo O; Jorgensen WL
    J Am Chem Soc; 2005 Jun; 127(24):8829-34. PubMed ID: 15954791
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Cope elimination: elucidation of solvent effects from QM/MM simulations.
    Acevedo O; Jorgensen WL
    J Am Chem Soc; 2006 May; 128(18):6141-6. PubMed ID: 16669683
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
    Nagy PI; Erhardt PW
    J Phys Chem B; 2005 Mar; 109(12):5855-72. PubMed ID: 16851638
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations.
    Repasky MP; Guimarães CR; Chandrasekhar J; Tirado-Rives J; Jorgensen WL
    J Am Chem Soc; 2003 Jun; 125(22):6663-72. PubMed ID: 12769575
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions.
    Hori K; Yamaguchi T; Uezu K; Sumimoto M
    J Comput Chem; 2011 Apr; 32(5):778-86. PubMed ID: 21341291
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A new solvent-dependent mechanism for a triazolinedione ene reaction.
    Acevedo O; Squillacote ME
    J Org Chem; 2008 Feb; 73(3):912-22. PubMed ID: 18161986
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
    Li Q; Gusarov S; Evoy S; Kovalenko A
    J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Effect of solvent hydrogen bonding on excited-state properties of luminol: a combined fluorescence and DFT study.
    Moyon NS; Chandra AK; Mitra S
    J Phys Chem A; 2010 Jan; 114(1):60-7. PubMed ID: 19908876
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Solvent effects on the fluorescence quenching of tryptophan by amides via electron transfer. Experimental and computational studies.
    Muiño PL; Callis PR
    J Phys Chem B; 2009 Mar; 113(9):2572-7. PubMed ID: 18672928
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ionic hydrogen-bond networks and ion solvation. 1. An efficient Monte Carlo/quantum mechanical method for structural search and energy computations: ammonium/water.
    Zhao YL; Meot-Ner Mautner M; Gonzalez C
    J Phys Chem A; 2009 Mar; 113(12):2967-74. PubMed ID: 19243164
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents.
    Nagy PI; Fabian WM
    J Phys Chem B; 2006 Dec; 110(49):25026-32. PubMed ID: 17149926
    [TBL] [Abstract][Full Text] [Related]  

  • 13. QM/MM investigation on 1,3-dipolar cycloadditions of the phthalazinium dicyanomethanide with three different dipolarophiles on water and in solution.
    Yang X; Xue Y
    Phys Chem Chem Phys; 2013 Jul; 15(28):11846-55. PubMed ID: 23760163
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Correlation between the rate order and the number of molecules in the reaction of trimethyl phosphite with water in acetonitrile solvent.
    Yamabe S; Tsuchida N; Yamazaki S
    J Phys Chem A; 2010 Nov; 114(43):11699-707. PubMed ID: 20942499
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM; Peslherbe GH
    J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
    Pasalić H; Aquino AJ; Tunega D; Haberhauer G; Gerzabek MH; Georg HC; Moraes TF; Coutinho K; Canuto S; Lischka H
    J Comput Chem; 2010 Jul; 31(10):2046-55. PubMed ID: 20127744
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ab initio and DFT studies on methanol-water clusters.
    Mandal A; Prakash M; Kumar RM; Parthasarathi R; Subramanian V
    J Phys Chem A; 2010 Feb; 114(6):2250-8. PubMed ID: 20104906
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Isotropic magnetic shielding constants of retinal derivatives in aprotic and protic solvents.
    Colherinhas G; Fonseca TL; Castro MA; Coutinho K; Canuto S
    J Chem Phys; 2013 Sep; 139(9):094502. PubMed ID: 24028122
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Studies of the thermodynamic properties of hydrogen gas in bulk water.
    Sabo D; Varma S; Martin MG; Rempe SB
    J Phys Chem B; 2008 Jan; 112(3):867-76. PubMed ID: 18154326
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Elucidation of hydrolysis mechanisms for fatty acid amide hydrolase and its Lys142Ala variant via QM/MM simulations.
    Tubert-Brohman I; Acevedo O; Jorgensen WL
    J Am Chem Soc; 2006 Dec; 128(51):16904-13. PubMed ID: 17177441
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.