Pronađeno 83 radova, za izraz:
"PROJEKT: (Računalno proučavanje strukture i funkcije proteina (MZOS-098-0982933-2937))"
DODAJ/IZMIJENI OPERATORE PRETRAŽIVANJA
-
51.Kovačević, Borislav; Sandala, Gregory; Barić, Danijela; Radom, Leo; Smith, David MatthewOn the Reaction of Glycerol Dehydratase and But-3-ene-1, 2-diol // Vitamin B12 & Corphins, Organometallic Life on Earth, From Microorganisms to Humans
Oxford, Ujedinjeno Kraljevstvo, 2009. str. 1-1 (poster, sažetak, ostalo) -
52.Miličević, Zoran; Smith, David M.; Marrink, Siewert-Jan; Smith, Ana SunčanaThe study of the hydration of hydrophobic particles by molecular dynamics simulations // Book of Abstracts. The 3rd Adriatic Meeting On Computational Solutions in the Life Sciences / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Institute of Computational Life Sciences (ICLS), 2009. str. 67-67 (poster, sažetak, znanstveni) -
53.The 3rd Adriatic 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), 2009 (zbornik)
-
54.Kovačević, Borislav; Barić, Danijela; Smith, David Matthew; Sandala, Gregory M.; Radom, LeoComputational Study of the Catalytic Mechanism of B12-Independent Glycerol Dehydratase (GDH) // The 3rd Adriatic Meeting on Computational Solutions in Life Sciences, Book of Abstracts / Babić, Darko ; Došlić, Nadja ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 61-61 (poster, sažetak, znanstveni) -
55.Barić, Danijela; Kovačević, Borislav; Sandala, Gregory M.; Smith, David Matthew; Radom, LeoComputational Investigation of Enzymatic Dehydration of Glycerol // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences, Book of Abstracts / Babić, Darko ; Došlić, Nadja ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 31-31 (predavanje, sažetak, znanstveni) -
56.Smith, David M.Studying Enzymatic Mechanism with QM/MM Techniques: An Application to the Dehydration of Glycerol // Seventh International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2009) Book of Abstracts
Rodos, Grčka, 2009. (pozvano predavanje, sažetak, znanstveni) -
57.Čondić-Jurkić, Karmen; Zipse, Hendrik; Carell, Thomas; Smith, David M.Possible Protonation States of Histidines in the Active Site of (6-4) Photolyase // The 3rd Adriatic Meeting On Computational Solutions in the Life Sciences 2009 / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Centre for Computational Solutions in Life Sciences (IRB), 2009. str. 52-52 (poster, sažetak, znanstveni) -
58.Smith, David M.A Computational Perspecitve on Glycerol Dehydration: To B12 or not to B12 // Vitamin B12 & Corphins, Organometallic Life on Earth: From Microorganisms to Humans
Oxford, Ujedinjeno Kraljevstvo, 2009. (pozvano predavanje, sažetak, znanstveni) -
59.Kovačević, Borislav; Barić, Danijela; Sandala, Gregory M.; Sandala, Radom, Leo; Smith, David M.A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 // XXI. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka / Novak, Predrag : Pičuljan, Katarina : Smolec, Sonja (ur.).
Zagreb: Petrokemija d.d., Kutina, 2009. str. 47-47 (pozvano predavanje, sažetak, ostalo) -
60.Durbeej, Bo; Sandala, Gregory M.; Bucher, Denis; Smith, David M.; Radom, LeoOn the Importance of Ribose Orientation in the Substrate Activation of the Coenzyme B12-Dependent Mutases // Chemistry - A European Journal, 15 (2009), 34; 8578-8585 doi:10.1002/chem.200901002 (međunarodna recenzija, članak, znanstveni)
-
61.Sandala, Gregory M.; Kovačević, Borislav; Barić, Danijela; Smith, David M.; Radom, LeoOn the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol // Chemistry : a European journal, 15 (2009), 19; 4865-4873 doi:10.1002/chem.200802640 (međunarodna recenzija, članak, znanstveni)
-
62.Čondić-Jurkić, Karmen; Smith, David M.Differential Binding Affinity to PFL of Substrate Pyruvate and Inhibitor Oxamate From Thermodynamic Cycle // Biomolecular Modeling Retreat
North Stradbroke Island, Australija, 2008. (poster, neobjavljeni rad, znanstveni) -
63.Kovačević, Borislav; Barić, Danijela; Sandala, Greg M.; Radom, Leo; Smith, David M.Computational Investigations of Enzyme Mechanisms: An Application to Glycerol Dehydration // TACC 2008 Book of Abstracts
Šangaj, Kina, 2008. (pozvano predavanje, sažetak, znanstveni) -
64.Kovačević, Borislav; Barić, Danijela; Sandala, Greg M.; Radom, Leo; Smith, David M.Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration // WATOC 2008 Book of Abstracts
Sydney, Australija, 2008. (pozvano predavanje, sažetak, znanstveni) -
65.Barić, Danijela; Sandala, Gregory M.; Sandala, Radom, Leo; Smith, David M.Coenzyme B12-Dependent Fermentation of Glycerol - A Computational Study // WATOC 2008 Book of Abstracts
Sydney, Australija, 2008. (poster, međunarodna recenzija, sažetak, znanstveni) -
66.Kovačević, Borislav; Sandala, Gregory M.; Radom, Leo; Smith, David M.A QM/MM Investigation of the Catalytic Mechanism of Coenzyme B12-Independent Glycerol Dehydratase // WATOC 2008 Book of Abstracts
Sydney, Australija, 2008. (poster, međunarodna recenzija, sažetak, znanstveni) -
67.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.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) -
68.Kovačević, Borislav; Barić, Danijela; Sandala, Greg M.; Radom, Leo; Smith, David M.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) -
69.Kovačević, Borislav; Barić, Danijela; Sandala, Greg M.; Radom, Leo; Smith, David M.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) -
70.Sandala, Gregory M.; Smith, David; Radom, LeoThe 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)
-
71.Wood, Geoffrey P. F.; Gordon, Mark S.; Radom, Leo; Smith, David M.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)
-
72.Čondić-Jurkić, Karmen; Perchyonok, V. Tamara; Zipse, Hendrik; Smith, David M.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)
-
73.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)
-
74.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.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) -
75.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.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)
