Pregled po CROSBI profilu: David Matthew Smith (CROSBI Profil: 26953, MBZ: 260506)
Pronađeno 148 radova
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51.QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol. // X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications / Miguel Sola (ur.).
Girona: Institut de Quimica Computational, 2012. str. 64-64 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
52.QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol. // X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications
Girona, Španjolska, 2012. str. 1-1 (predavanje, sažetak, znanstveni) -
53.Calculation of the CD spectrum of a peptide from its conformational phase space: The case of Met-enkephalin and its unnatural analogue // Journal of chemical theory and computation, 8 (2012), 5; 1694-1705 doi:10.1021/ct200868y (međunarodna recenzija, članak, znanstveni)
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54.Theoretical Studies of Radical Enzymes // Encyclopedia of Radicals in Chemistry, Biology and Materials / Chatgilialoglu, C. ; Studer, A. (ur.).
Chichester: John Wiley & Sons, 2012. str. 1547-1576 -
55.The Elusive 5'-Deoxyadenosyl Radical in Coenzyme-B12-Mediated Reactions // Journal of the American Chemical Society, 134 (2012), 3; 1591-1599 doi:10.1021/ja207809b (međunarodna recenzija, članak, znanstveni)
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56.The Protonation States of the Active-Site Histidines in (6-4) Photolyase // Journal of Chemical Theory and Computation, 8 (2012), 3; 1078-1091 doi:10.1021/ct2005648 (međunarodna recenzija, članak, znanstveni)
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57.Water ordering around small hydrophobic particles in electric fields // EAM Winter School 2011
Kirchberg am Wagram, Austrija, 2011. (predavanje, neobjavljeni rad, znanstveni) -
58.Conformational study of small peptides and relation to spectroscopy // EAM Winter School
Kirchberg am Wagram, Austrija, 2011. (predavanje, neobjavljeni rad, znanstveni) -
59.Conformational study of small peptides and its relation to circular dichroism spectroscopy // The 25th Molecular Modelling Workshop Book of Abstracts
Erlangen, Njemačka, 2011. str. 31-31 (predavanje, sažetak, znanstveni) -
60.Water ordering around small hydrophobic solutes in electric fields // The 25th Molecular Modelling Workshop Book of Abstracts
Erlangen, Njemačka, 2011. str. 24-24 (predavanje, sažetak, znanstveni) -
61.The ordering of water around hydrophobic solutes in electric fields // WATOC Poster Abstracts
Santiago de Compostela, Španjolska, 2011. (poster, sažetak, znanstveni) -
62.The Activation of Coenzyme B12 // Invited Lectures of the Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists
Santiago de Compostela, Španjolska, 2011. str. 220-220 (pozvano predavanje, sažetak, znanstveni) -
63.New insights in the protonation states fo active- site histidines in (6-4) photolyase // 25th Molecular Modelling Workshop 2011
Erlangen, Njemačka, 2011. str. 34-34 (predavanje, sažetak, ostalo) -
64.Glycerol as a Substrate and Inactivator of B12-dependent Dehydratases - a QM/MM Study // Poster sesion III of the Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela
Santiago de Compostela, Španjolska, 2011. str. 1-1 (poster, sažetak, ostalo) -
65.Human Dipeptidyl Peptidase III: Insights into Ligand Binding from a Combined Experimental and Computational Approach // Journal of molecular recognition, 24 (2011), 5; 804-814 doi:10.1002/jmr.1115 (međunarodna recenzija, članak, znanstveni)
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66.Computational study of the cyclopalladation mechanism of azobenzene with PdCl2 in N, N-dimethylformamide // Journal of organometallic chemistry, 696 (2011), 3; 661-669 doi:10.1016/j.jorganchem.2010.09.038 (međunarodna recenzija, članak, znanstveni)
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67.The Ruder Boskovic Institute – Today and Tomorrow // Periodicum biologorum, 112 (2010), 4; 369-374 (međunarodna recenzija, pregledni rad, ostalo)
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68.Conformational study of Met-enkephalin and its unnatural analogue using molecular dynamics // International Workshop on Modeling, Simulation and Optimization
Erlangen, Njemačka, 2010. str. 1-1 (poster, neobjavljeni rad, znanstveni) -
69.Electrophoretic mobility of hydrophobic particles // International Workshop on Modeling, Simulation and Optimization
Erlangen, Njemačka, 2010. str. 1-1 (poster, neobjavljeni rad, znanstveni) -
70.A QM/MM Insvestigation of Enzymatic Diol Dehydration // From Solid State To BioPhysics V - 'From Physics To Life Sciences'
Cavtat, Hrvatska, 2010. (poster, sažetak, ostalo) -
71.On the mechanism of biological glycerol dehydration using QM/MM techniques // 2010 International Chemical Congress of Pacific Basin Societies
Lahti, 2010. str. TECH-173 (pozvano predavanje, sažetak, znanstveni) -
72.Insights into the Mechansim of Glycerol Dehydratase through QM/MM calculations // Gordon Research Conference on Computational Chemistry
Les Diablerets, Švicarska, 2010. (predavanje, sažetak, znanstveni) -
73.Replica-Exchange Molecular Dynamics Studies on Natural and Non-Natural Opioid Peptides // Book of Abstracts, Australia-Croatia Workshop on Antimicrobial Peptides and Summer School in Biophysics PhD Programme: AMP2010 / Juretić, Davor ; Separović, Frances ; Bitunjac, Irena ; Simunić, Juraj (ur.).
Split: Faculy of Science, University of Split, 2010. str. 24-24 (pozvano predavanje, sažetak, znanstveni) -
74.Subtle Differences with Important Consequences in Enzymatic Diol Dehydration // The 5th Central European Conference – Chemistry towards Biology. Book of Abstracts / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Vianello, Robert (ur.).
Zagreb: Institut Ruđer Bošković, 2010. str. 53-53 (pozvano predavanje, sažetak, znanstveni) -
75.The study of hydrophobic solvation by molecular dynamics simulations // The 24th Molecular Modelling Workshop Book of Abstracts
Erlangen, Njemačka, 2010. str. 14-14 (poster, sažetak, znanstveni)
