Pregled po CROSBI profilu: David Matthew Smith (CROSBI Profil: 26953, MBZ: 260506)
Pronađeno 148 radova
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101.A Comparison of Reactivity of Natural Substrate Pyruvate and of the Inhibitor Oxamate in Pyuvate Formate-Lyase // WATOC 2008 Abstracts (Poster Session 3)
Sydney, 2008. (poster, sažetak, znanstveni) -
102.Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols // International Conference including Biophysics Summer School From Solid State to BioPhysics IV
Cavtat, Hrvatska, 2008. (pozvano predavanje, sažetak, znanstveni) -
103.Computational Investigation of Enzyme Mechanisms: An Application to the B12-Independent Glycerol Dehydratase // Trends in Enzymology "Perspectives en Enzymologie" / Miller, Susan ; Badet, Bernard (ur.).
Saint-Malo, Francuska, 2008. (pozvano predavanje, sažetak, znanstveni) -
104.The Carbon-Skeleton Rearrangement in Tropane Alkaloid Biosynthesis // Journal of the American Chemical Society, 130 (2008), 32; 10684-10690 doi:10.1021/ja801869a (međunarodna recenzija, članak, znanstveni)
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105.The Nature of Glycine and its alpha-Carbon Radical in Aqueous Solution: A Theoretical Investigation // Journal of chemical theory and computation, 4 (2008), 10; 1788-1794 doi:10.1021/ct8002942 (međunarodna recenzija, članak, znanstveni)
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106.On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase // Journal of computational chemistry, 29 (2008), 14; 2425-2433 doi:10.1002/jcc.20984 (međunarodna recenzija, članak, znanstveni)
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107.The 2nd Opatija Meeting on Computational Solutions in Life Sciences : book of abstracts / Babić, Darko ; Došlić, Nadja ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.). Zagreb: Institute of Computational Life Sciences (ICLS), 2007 (zbornik)
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108.A Computational Study of Substrate Mechanism of Pyruvate-Formate Lyase // Book of Abstracts, The 2nd Opatija Meeting on Computational Solutions in Life Sciences / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Center for Computational Solutions in the Life Sciences, 2007. (poster, sažetak, znanstveni) -
109.A Computational Study of Substrate Mechanism of Pyruvate-Formate Lyase // Density Functional Theory in Physics and Chemistry (DFT 07)
Amsterdam: Stichting HRSMC Congresorganisatie, 2007. (poster, sažetak, znanstveni) -
110.Experimental and theoretical models for the reaction pathways of radical enzymes // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences, Book of Abstracts / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb, 2007. (pozvano predavanje, sažetak, znanstveni) -
111.Radical-induced acidity enhancements // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences, Book of Abstracts / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb, 2007. (pozvano predavanje, sažetak, znanstveni) -
112.The Integrated Molecular Orbital Approach to Accurate Calculations of Large Molecular Systems // Mathematical Methods in Chemistry 2007, MMC 2007, Program and Book of Abstracts
Split, Hrvatska, 2007. (pozvano predavanje, sažetak, znanstveni) -
113.Theoretical Studies of Coenzyme B12-Dependent Reactions: Recent Developments // The 1st Split Meeting on Development and Applications of Novel Methods and Models in Computational Biophysics and Structural Bioinformatics
Split, Hrvatska, 2007. (pozvano predavanje, sažetak, znanstveni) -
114.Theoretical Studies of Coenzyme B12-Dependent Reactions: What Can Small Models Tell Us? // The 2007 Gordon Research Conference on Vitamin B12 and Corphins
Biddeford (ME), Sjedinjene Američke Države, 2007. (pozvano predavanje, sažetak, znanstveni) -
115.Estimating the pi-bond energies and the stabilities of oxy-substituted carbocations // Journal of Molecular Structure - Theochem, 811 (2007), 1-3; 355-359 (međunarodna recenzija, članak, znanstveni)
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116.Toward an Improved Understanding of the Glutamate Mutase System // Journal of the American Chemical Society, 129 (2007), 6; 1623-1633 (međunarodna recenzija, članak, znanstveni)
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117.Računalna studija mehanizma piruvat-formijat-liaze, 2006., diplomski rad, Prirodoslovno-matematički fakultet (Kemijski odsjek), Zagreb
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118.In Search of Radical Intermediates in the Reactions Catalyzed by Lysine 2, 3-Aminomutase and Lysine 5, 6-Aminomutase // Journal of the American Chemical Society, 128 (2006), 16004-16005 (međunarodna recenzija, članak, znanstveni)
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119.Specific Interactions between Sense and Complementary Peptides : What Can Molecular Dynamics Tell Us? // Abstracts of the 5th International DU NMR Course and Conference
Zagreb: Ruđer Bošković Intstitute, 2006. (pozvano predavanje, sažetak, znanstveni) -
120.DFT Study of Cyclopalladation Mechanism of Benzylamines // XXII International Conferenceon Organometallic Chemistry : Actas del Congreso
Zaragoza, 2006. (poster, sažetak, znanstveni) -
121.The Integrated Molecular Orbital Approach to Accurate Calculations of Large Molecular Systems // From Solid State to Biophysics III
Dubrovnik, Hrvatska; Cavtat, Hrvatska, 2006. str. 1-1 (pozvano predavanje, sažetak, znanstveni) -
122.Insight into the Hydrogen Abstraction Reactions of Diol Dehydratase: Relevance to the Catalytic Mechanism and Suicide Inactivation. // Journal of the American Chemical Society, 128 (2006), 3433-3444 (međunarodna recenzija, članak, znanstveni)
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123.Transfer hydrogenation between ethane and ethene: a critical assessment of theoretical procedures // Molecular Physics, 104 (2006), 777-794 (međunarodna recenzija, članak, znanstveni)
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124.C-H Bond Acidity in Radicals of Biological Interest // WATOC 2005 Modelling Structue and Reactivity
Cape Town, Južnoafrička Republika, 2005. (pozvano predavanje, sažetak, znanstveni) -
125.The Integrated Molecular Orbital Approach to Accurate Calculations of Large Molecular Systems // Abstracts of the 1st South Eastern European Workshop on Practical Approaches to Computational Biology
Opatija, Hrvatska, 2005. (pozvano predavanje, sažetak, znanstveni)
