BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

194 related articles for article (PubMed ID: 25805820)

  • 1. The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm.
    Schopf P; Mills MJ; Warshel A
    Proc Natl Acad Sci U S A; 2015 Apr; 112(14):4328-33. PubMed ID: 25805820
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes.
    Sharma PK; Chu ZT; Olsson MH; Warshel A
    Proc Natl Acad Sci U S A; 2007 Jun; 104(23):9661-6. PubMed ID: 17517615
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Computer simulations of enzyme catalysis: methods, progress, and insights.
    Warshel A
    Annu Rev Biophys Biomol Struct; 2003; 32():425-43. PubMed ID: 12574064
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions.
    Rosta E; Klähn M; Warshel A
    J Phys Chem B; 2006 Feb; 110(6):2934-41. PubMed ID: 16471904
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions.
    Bucher D; Sandala GM; Durbeej B; Radom L; Smith DM
    J Am Chem Soc; 2012 Jan; 134(3):1591-9. PubMed ID: 22229941
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.
    Xiang Y; Warshel A
    J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A compelling experimental test of the hypothesis that enzymes have evolved to enhance quantum mechanical tunneling in hydrogen transfer reactions: the beta-neopentylcobalamin system combined with prior adocobalamin data.
    Doll KM; Finke RG
    Inorg Chem; 2003 Aug; 42(16):4849-56. PubMed ID: 12895106
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Misunderstanding the preorganization concept can lead to confusions about the origin of enzyme catalysis.
    Jindal G; Warshel A
    Proteins; 2017 Dec; 85(12):2157-2161. PubMed ID: 28905418
    [TBL] [Abstract][Full Text] [Related]  

  • 9. DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?
    Li X; Chung LW; Paneth P; Morokuma K
    J Am Chem Soc; 2009 Apr; 131(14):5115-25. PubMed ID: 19309090
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.
    Kato M; Pisliakov AV; Warshel A
    Proteins; 2006 Sep; 64(4):829-44. PubMed ID: 16779836
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization.
    Strajbl M; Shurki A; Kato M; Warshel A
    J Am Chem Soc; 2003 Aug; 125(34):10228-37. PubMed ID: 12926945
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase.
    Olsson MH; Siegbahn PE; Warshel A
    J Am Chem Soc; 2004 Mar; 126(9):2820-8. PubMed ID: 14995199
    [TBL] [Abstract][Full Text] [Related]  

  • 13. How much do enzymes really gain by restraining their reacting fragments?
    Shurki A; Strajbl M; Villà J; Warshel A
    J Am Chem Soc; 2002 Apr; 124(15):4097-107. PubMed ID: 11942849
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies.
    Kamerlin SC; Haranczyk M; Warshel A
    J Phys Chem B; 2009 Feb; 113(5):1253-72. PubMed ID: 19055405
    [TBL] [Abstract][Full Text] [Related]  

  • 15. QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase.
    Liu Y; Gallo AA; Florián J; Liu YS; Mora S; Xu W
    J Phys Chem B; 2010 Apr; 114(16):5497-502. PubMed ID: 20361776
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A combined density functional theory and molecular mechanics study of the relationship between the structure of coenzyme B12 and its binding to methylmalonyl-CoA mutase.
    Freindorf M; Kozlowski PM
    J Am Chem Soc; 2004 Feb; 126(7):1928-9. PubMed ID: 14971913
    [TBL] [Abstract][Full Text] [Related]  

  • 17. How important are entropic contributions to enzyme catalysis?
    Villa J; Strajbl M; Glennon TM; Sham YY; Chu ZT; Warshel A
    Proc Natl Acad Sci U S A; 2000 Oct; 97(22):11899-904. PubMed ID: 11050223
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Toward accurate screening in computer-aided enzyme design.
    Roca M; Vardi-Kilshtain A; Warshel A
    Biochemistry; 2009 Apr; 48(14):3046-56. PubMed ID: 19161327
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Biochemistry of B12-cofactors in human metabolism.
    Kräutler B
    Subcell Biochem; 2012; 56():323-46. PubMed ID: 22116707
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.