CROSBI Profil: David Matthew Smith (26953)

1.

Stepić, Robert; Wick, Christian R.; Strobel, Vinzent; Berger, Daniel; Vučemilović-Alagić, Nataša; Haumann, Marco; Wasserscheid, Peter; Smith, Ana Sunčana; Smith, David M.
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study // Angewandte Chemie. International edition, 58 (2019), 3; 741-745 doi:10.1002/anie.201811627 (međunarodna recenzija, članak, znanstveni)
doi puls.physik.fau.de onlinelibrary.wiley.com doi.org
2.

Hanževački, Marko; Čondić‐Jurkić, Karmen; Banhatti, Radha Dilip; Smith, Ana‐Sunčana; Smith, David M.
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase // Chemistry : a European journal, 25 (2019), 37; 8741-8753 doi:10.1002/chem.201900663 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi onlinelibrary.wiley.com doi.org onlinelibrary.wiley.com
3.

Kovačević, Borislav; Barić, Danijela; Babić, Darko; Bilić, Luka; Hanževački, Marko; Sandala, Gregory M.; Radom, Leo; Smith, David M.
Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496 doi:10.1021/jacs.8b03109 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org
4.

Dragičević, Ivan; Barić, Danijela; Kovačević, Borislav; Golding, Bernard T.; Smith, David Matthew
Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143 doi:10.1002/chem.201405741 (međunarodna recenzija, članak, znanstveni)
doi onlinelibrary.wiley.com
5.

Bucher, Denis; Sandala, Gregory M.; Durbeej, Bo; Radom, Leo; Smith, David Matthew
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)
doi pubs.acs.org pubs.acs.org

Svi radovi

1.

Wolf, Patrick; Wick, Christian R.; Mehler, Julian; Blaumeiser, Dominik; Schötz, Simon; Bauer, Tanja; Libuda, Jörg; Smith, David; Smith, Ana-Sunčana; Haumann, Marco
Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives // ACS Catalysis, 12 (2022), 9; 5661-5672 doi:10.1021/acscatal.1c05979 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi pubs.acs.org doi.org
2.

Bilić, Luka; Barić, Danijela; Sandala, Gregory M; Smith, David M.; Kovačević, Borislav
Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941 doi:10.1002/chem.202100416 (međunarodna recenzija, članak, znanstveni)
doi chemistry-europe.onlinelibrary.wiley.com doi.org
3.

Livraghi, Mattia; Höllring, Kevin; Wick, Christian R.; Smith, David M.; Smith, Ana-Sunčana
An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks // Journal of chemical theory and computation, 17 (2021), 10; 6449-6457 doi:10.1021/acs.jctc.1c00423 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi pubs.acs.org pubs.acs.org doi.org puls.physik.fau.de
4.

Dalsvåg, Hanne; Cropotova, Janna; Režek Jambrak, Anet; Janči, Tibor; Španěl, Patrik; Dryahina, Kseniya; Smith, David; Rustad, Turid
Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days // ACS Food Science and Technology, 2 (2021), 3; 400-414 doi:10.1021/acsfoodscitech.1c00259 (međunarodna recenzija, članak, znanstveni)
doi
5.

Vučemilović-Alagić, Nataša; Banhatti, Radha D.; Stepić, Robert; Wick, Christian R.; Berger, Mario Gaimann, Daniel; Bear, Andreas; Harting, Jens; Smith, David Matthew; Smith, Ana-Sunčana
Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment using data from MD simulations // Data in brief, 28 (2020), 104794, 11 doi:10.1016/j.dib.2019.104794 (međunarodna recenzija, članak, znanstveni)
doi www.sciencedirect.com doi.org fulir.irb.hr
6.

Blaumeiser, Dominik; Stepić, Robert; Wolf, Patrick; Wick, Christian R.; Haumann, Marco; Wasserscheid, Peter; Smith, David M.; Smith, Ana-Sunčana; Bauer, Tanja; Libuda, Jörg
Cu carbonyls enhance the performance of Ru-based SILP water–gas shift catalysts: a combined in situ DRIFTS and DFT study // Catalysis Science & Technology, 10 (2020), 1; 252-262 doi:10.1039/c9cy01852b (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi puls.physik.fau.de doi.org pubs.rsc.org
7.

Stepić, Robert; Jurković, Lara; Klementyeva, Ksenia; Ukrainczyk, Marko; Gredičak, Matija; Smith, David M.; Kralj, Damir; Smith, Ana- Sunčana
Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment // Crystal growth & design, 20 (2020), 5; 2853-2859 doi:10.1021/acs.cgd.0c00061 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org doi.org
8.

Baer, Andreas; Miličević, Zoran; Smith, David M.; Smith, Ana-Sunčana
Water in an electric field does not dance alone: The relation between equilibrium structure, time dependent viscosity and molecular motions // Journal of molecular liquids, 282 (2019), 303-315 doi:10.1016/j.molliq.2019.02.055 (međunarodna recenzija, članak, znanstveni)
doi www.sciencedirect.com doi.org
9.

Stepić, Robert; Wick, Christian R.; Strobel, Vinzent; Berger, Daniel; Vučemilović-Alagić, Nataša; Haumann, Marco; Wasserscheid, Peter; Smith, Ana Sunčana; Smith, David M.
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study // Angewandte Chemie. International edition, 58 (2019), 3; 741-745 doi:10.1002/anie.201811627 (međunarodna recenzija, članak, znanstveni)
doi puls.physik.fau.de onlinelibrary.wiley.com doi.org
10.

Vučemilović-Alagić, Nataša; Banhatti, Radha D.; Stepić, Robert; Wick, Christian Rainer; Berger, Daniel; Gaimann, Mario U.; Baer, Andreas; Harting, Jens; Smith, David Matthew; Smith, Ana-Sunčana
Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces // Journal of colloid and interface science, 553 (2019), 350-363 doi:10.1016/j.jcis.2019.06.017 (međunarodna recenzija, članak, znanstveni)
doi www.sciencedirect.com doi.org
11.

Bilić, Luka; Barić, Danijela; Banhatti, Radha Dilip; Smith, David M.; Kovačević, Borislav
Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187 doi:10.1021/acs.jpcb.9b04071 (međunarodna recenzija, članak, znanstveni)
doi doi.org pubs.acs.org
12.

Babić, Darko; Kazazić, Saša; Smith, David Matthew
Resolution of protein hydrogen/deuterium exchange by fitting amide exchange probabilities to the peptide isotopic envelopes // RCM. Rapid communications in mass spectrometry, 33 (2019), 15; 1248-1257 doi:10.1002/rcm.8460 (međunarodna recenzija, članak, znanstveni)
doi analyticalsciencejournals.onlinelibrary.wiley.com
13.

Vučemilović-Alagić, Nataša; Stepić, Robert; Wick, Christian R.; Banhatti, Radha; Haumann, Marco; Wasserscheid, Peter; Libuda, Jörg; Harting, Jens; Smith, Ana-Sunčana; Smith, David Matthew
Insights from molecular dynamics simulations on static and dynamic properties of [C2MIM][NTf2] ionic liquids // 4th Grandmaster Early-Career Workshop in Physics
Split, Hrvatska, 2019. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni)
magnetooptics.phy.bme.hu
14.

Hanževački, Marko; Banhatti, Radha Dilip; Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.
Exploring reactive conformations of coenzyme a during binding and unbinding to pyruvate formate–lyase // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 123 (2019), 43; 9345-9356 doi:10.1021/acs.jpca.9b06913 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org
15.

Hanževački, Marko; Čondić‐Jurkić, Karmen; Banhatti, Radha Dilip; Smith, Ana‐Sunčana; Smith, David M.
The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase // Chemistry : a European journal, 25 (2019), 37; 8741-8753 doi:10.1002/chem.201900663 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi onlinelibrary.wiley.com doi.org onlinelibrary.wiley.com
16.

Bilić, Luka; Barić, Danijela; Banhatti, Radha Dilip; Smith, David Matthew; Kovačević, Borislav
Computational study of glycerol binding within the active site of coenzyme B12-dependent diol dehydratase // Computational Chemistry Day2019
Zagreb, Hrvatska, 2019. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
17.

Bilić, Luka; Barić , Danijela; Banhatti, Radha Dilip; Smith, David Matthew; Kovačević, Borislav
The Role of Enzyme Dynamics in Understanding of Suicidal Inactivation of B12-dependent Diol Dehydratase // 2nd Mini symposium on radical enzymes
Zagreb, Hrvatska, 2019. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
18.

Bilić, Luka; Barić, Danijela; Banhatti, Radha Dilip; Smith, David Matthew; Kovačević, Borislav
Analysis of glycerol binding within the active site of B12‐dependent diol dehydratase; implications for catalysis and inhibition // 26th Croatian meeting of chemists & chemical engineers (HSKIKI)
Šibenik, Hrvatska, 2019. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
19.

Wolf, Patrick; Aubermann, Manfred; Wolf, Moritz; Bauer, Tanja; Blaumeiser, Dominik; Stepic, Robert; Wick, Christian R.; Smith, David M.; Smith, Ana-Suncana; Wasserscheid, Peter et al.
Improving the performance of supported ionic liquid phase (SILP) catalysts for the ultra-low-temperature water-gas shift reaction using metal salt additives // Green chemistry, 21 (2019), 18; 5008-5018 doi:10.1039/c9gc02153a (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi pubs.rsc.org
20.

Bauer, Tanja; Stepić, Robert; Wolf, Patrick , Kollhoff, Fabian; Karawacka, Weronika; Wick, Christian Rainer; Haumann, Marco; Wasserscheid Peter; Smith, David Matthew; Smith, Ana-Sunčana; Libuda, Jörg
Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)xCly]n species in water gas shift catalysis // Catalysis Science & Technology, 8 (2018), 344-357 doi:10.1039/C7CY02199B (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada doi pubs.rsc.org
21.

Bilić, Luka; Tomin, Marko; Barić, Danijela; Kovačević, Borislav; Smith, David Matthew
MD and DFT study of glycerol binding in B12-dependent diol dehydratase // AMBER Molecular Dynamics workshop 2018 i Spring School in Computational Chemistry 2018 @ CSC
Haifa, Izrael ; Espoo, Finska, 2018. (poster, neobjavljeni rad, znanstveni)
22.

Kovačević, Borislav; Barić, Danijela; Babić, Darko; Bilić, Luka; Hanževački, Marko; Sandala, Gregory M.; Radom, Leo; Smith, David M.
Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496 doi:10.1021/jacs.8b03109 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org
23.

Smith, David Matthew; Mihaljević, Branka; Maltar- Strmečki, Nadica; Balog, Tihomir
The Ruđer Bošković Institute: food for thought // Abstracts of the 2nd International Congress on Food Safety and Quality “Food Life Cycle”, Arhiv za higijenu rada i toksikologiju, Vol. 69 No. Supplement / Šostar, Zvonimir ; Šikić, Sandra ; Krivohlavek, Adela (ur.).
Zagreb: Institute for Medical Research and Occupational Health, 2018. str. 10-10 (predavanje, međunarodna recenzija, sažetak, znanstveni)
hrcak.srce.hr
24.

Wick, Christian R.; Smith, David M.
Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes: Accuracy and Cost- Quality Balance // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 122 (2018), 6; 1747-1755 doi:10.1021/acs.jpca.7b11798 (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org
25.

Vučemilović-Alagić, Nataša; Berger, Daniel; Harting, Jens; Wick, Christian; Smith, David Matthew; Smith, Ana-Sunčana
Static and Dynamic Properties of [C2Mim][NTf2] - Ionic Liquid on Neutral Sapphire Surface // 27th EuChemS Conference on Molten Salts and Ionic Liquids - EuCheMSIL 2018 : Book of Abstracts and Program / Santos, Fernando ; Lourenço, Maria José ; Nieto de Castro, Carlos (ur.).
Lisabon: Faculdade de Ciências da Universidade de Lisboa, 2018. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni)
www.euchemsil2018.org biblios.ciencias.ulisboa.pt
26.

Vučemilović-Alagić, Nataša; Gaimann, Mario Udo; Baer, Andreas; Smith, Ana-Sunčana; Smith, David Matthew
Application of a Jump-Diffusion Model to Solid-Liquid Interfaces in Ionic Liquids // DPG-Frühjahrstagung (DPG Spring Meeting) and EPS-CMD27
Berlin, Njemačka, 2018. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
27.

Bilić, Luka; Tomin, Marko; Barić, Danijela; Kovačević, Boris; Smith, David Matthew
MD and DFT study of glycerol binding in B12-dependent diol dehydratase // Computational Chemistry Day / Babić, Darko ; Barić, Danijela ; Cvitaš, Marko ; Despotović, Ines ; Došlić, Nađa ; Hanževački, Marko ; Hrenar, Tomica ; Kovačević, Borislav ; Ljubić, Ivan ; Mihalić, Zlatko ; Vianello, Robert (ur.).
Zagreb: University of Zagreb Faculty of Science, 2018. str. 25-25 (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
bib.irb.hr
28.

Babić, Darko; Smith, David M.
Localization improvement of deuterium uptake in hydrogen/deuterium exchange in proteins // Journal of chemometrics, 31 (2017), 3; e2876-1 doi:10.1002/cem.2876 (međunarodna recenzija, članak, znanstveni)
doi onlinelibrary.wiley.com
29.

Štajner, Lara; Brkljača, Zlatko; Jakas, Andreja; Gredičak, Matija; Smith, David Matthew; Smith, Ana-Sunčana; Kralj, Damir
Interactions of tripeptide derivatives of salicylic acid with calcite surfaces // 25. Hrvatski skup kemičara i kemijskih inženjera s međunarodnim sudjelovanjem ; 3. simpozij Vladimir Prelog : knjiga sažetaka = 25th Croatian Meeting of Chemist and Chemical Engineers with international participation. 3rd symposium “Vladimir Prelog” : Book of Abstracts / Šantić, Ana ; Đaković, Marijana (ur.).
Zagreb: Hrvatsko kemijsko društvo ; Hrvatsko društvo kemijskih inženjera i tehnologa, 2017. str. 90-90 (predavanje, sažetak, znanstveni)
www.hdki.hr drive.google.com
30.

Ukrainczyk, Marko; Štajner, Lara; Brkljača, Zlatko; Stepić, Robert; Smith, David Matthew; Smith, Ana-Sunčana; Gredičak, Matija; Jerić, Ivanka; Jakas, Andreja; Kralj, Damir
Surface interactions between oligopeptide derivatives of salicylic acid and calcite as a model of an inorganic drug delivery system // The 10th Joint Meeting on Medicinal Chemistry : Book of Abstracts / Basarić, Nikola ; Namjesnik, Danijel ; Perković, Ivana ; Stepanić Višnja (ur.).
Zagreb: Hrvatsko kemijsko društvo, 2017. str. 145-145 (poster, sažetak, znanstveni)
31.

Vučemilović-Alagić, Nataša; Smith, David Matthew; Smith, Ana-Sunčana
Wetting and Contact Angle of the [C2Mim][NTf2] Ionic Liquid at the Neutral Sapphire Interface // International CongressEngineering of Advanced Materials ICEAM2017
Erlangen, Njemačka, 2017. str. 216-216 (poster, podatak o recenziji nije dostupan, ostalo)
www.iceam2017.fau.de
32.

Stepić, Robert; Vučemilović-Alagić, Nataša; Berger, Daniel; Wick, Christian; Bauer, Tanja; Haumann, Marko; Wasserscheid, Peter; Libuda, Jorge; Harting, Jens; Smith, Ana-Sunčana; Smith, David Matthew
Water Gas-Shift Reaction Catalysis in Supported Ionic Liquid Phase // International Congress Engineering of Advanced Materials-ICEAM2017Session 197Talk 73 Erlangen, Germany
Erlangen, Njemačka, 2017. str. 121-121 (predavanje, podatak o recenziji nije dostupan, ostalo, znanstveni)
www.iceam2017.fau.de
33.

Barić, Danijela; Dragičević, Ivan; Kovačević, Borislav; Golding, Bernard T.; Smith, David Matthew
Reduction of Ribonucleotide in Prebiotic Conditions // MIPoMat Workshop Innovative Surfaces and Materials 2016, Book of Abstracts
Primošten, Hrvatska, 2016. str. 23-23 (pozvano predavanje, međunarodna recenzija, sažetak, ostalo)
34.

Vučemilović-Alagić, Nataša; Stepić, Robert; Berger, Daniel; Wick, Christian; Harting, Jens; Smith, David Matthew; Smith, Ana-Sunčana
Ionic liquids at saphire interface-The influence of charges // The 8th EAM Symposium
Kloster Banz, Njemačka, 2016. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
35.

Vučemilović-Alagić, Nataša; Stepić, Robert; Berger, Daniel; Wick, Christian; Harting, Jens; Smith, David Matthew; Smith, Ana-Sunčana
Ionic Liqudis at Interfaces // 26th EUCHEM Conference on Molten Salts and Ionic Liquids
Beč, Austrija, 2016. (poster, podatak o recenziji nije dostupan, ostalo, znanstveni)
books.google.hr
36.

Vučemilović-Alagić, Nataša; Brkljača, Zlatko; Klimczak, Michael; Wasserscheid, Peter; Magerl, Andreas; Smith, Ana-Sunčana; Smith, David Matthew
Ionic liquids at interface // Workshop-Innovative Surfaces and Materials
Primošten, Hrvatska, 2016. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
mipomat-workshop.irb.hr
37.

Vučemilović-Alagić, Nataša; Brkljača, Zlatko; Smith, David Matthew; Smith, Ana-Sunčana
Organization and Wetting of [C4Mim] [Ntf2] Ionic Liquid at the Neutral Sapphire Interface // Molecular Modelling Workshop
Erlangen, Njemačka, 2016. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni)
mmws2016.mgms-ds.de
38.

Dragičević, Ivan; Barić, Danijela; Kovačević, Borislav; Golding, Bernard T.; Smith, David Matthew
Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143 doi:10.1002/chem.201405741 (međunarodna recenzija, članak, znanstveni)
doi onlinelibrary.wiley.com
39.

Šakić, Davor; Hanževački, Marko; Smith, David Matthew; Vrček, Valerije
A computational study of the chlorination and hydroxylation of amines by hypochlorous acid // Organic & biomolecular chemistry, 13 (2015), 48; 11740-11752 doi:10.1039/C5OB01823D (međunarodna recenzija, članak, znanstveni)
doi www.rsc.org pubs.rsc.org
40.

Brkljača, Zlatko; Klimczak, Michael; Miličević, Zoran; Weisser, Matthias; Taccardi, Nicola; Wasserscheid, Peter; Smith, David Matthew; Magerl, Andreas; Smith, Ana-Sunčana
Complementary Molecular Dynamics and X-ray Reflectivity Study of an Imidazolium-Based Ionic Liquid at a Neutral Sapphire Interface // Journal of Physical Chemistry Letters, 6 (2015), 3; 549-555 doi:10.1021/jz5024493 (podatak o recenziji nije dostupan, pismo, ostalo)
doi pubs.acs.org
41.

Brkljača, Zlatko; Mališ, Momir; Smith, David Matthew; Smith, Ana-Sunčana
Calculating CD Spectra of Flexible Peptides : An Assessment of TD-DFT Functionals // Journal of chemical theory and computation, 10 (2014), 8; 3270-3279 doi:10.1021/ct500071t (međunarodna recenzija, članak, znanstveni)
doi pubs.acs.org
42.

Shou, Qingyao; Smith, Joshua E.; Mon, Htwe; Brkljača, Zlatko; Smith, Ana-Sunčana; Smith, David Matthew; Griesser, Hans J.; Hans, Wohlmuth
Rhodomyrtals A–D, four unusual phloroglucinolsesquiterpene adducts from Rhodomyrtus psidioides // RSC Advances, 4 (2014), 26; 13514-13517 doi:10.1039/c4ra00154k (međunarodna recenzija, pismo, znanstveni)
Pristup cjelovitom tekstu rada doi pubs.rsc.org
43.

Miličević, Zoran; Marrink, Siewert J.; Smith, Ana-Sunčana; Smith, David Matthew
Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics // Journal of molecular modeling, 20 (2014), 2359-1 doi:10.1007/s00894-014-2359-5 (međunarodna recenzija, članak, znanstveni)
doi link.springer.com
44.

Babić, Darko; Klein, Douglas J.; Smith, David Matthew
Staggered Benzenoid Pairs as Potential Spin Coupling Systems // MATCH : communications in mathematical and in computer chemistry, 69 (2013), 3; 649-676 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada match.pmf.kg.ac.rs fulir.irb.hr
45.

Babić, Darko; Kazazić, Saša; Smith, David Matthew
Kinetics of H/D Exchange by Mass Spectrometry. I. Analysis of a Single Exchange Profile // MATCH : communications in mathematical and in computer chemistry, 70 (2013), 3; 801-827 (međunarodna recenzija, članak, znanstveni)
Pristup cjelovitom tekstu rada match.pmf.kg.ac.rs match.pmf.kg.ac.rs
46.

Bucher, Denis; Sandala, Gregory M.; Durbeej, Bo; Radom, Leo; Smith, David Matthew
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)
doi pubs.acs.org pubs.acs.org
47.

Sandala, Greg; Smith, David M.; Radom, Leo
Theoretical Studies of Radical Enzymes // Encyclopedia of Radicals in Chemistry, Biology and Materials / Chatgilialoglu, C. ; Studer, A. (ur.).
Chichester, UK: John Wiley & Sons Ltd, 2012. str. 1547-1576
48.

Kovačević, Borislav; Barić, Danijela; Sandala, Gregory; Smith, David M; Radom, Leo
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, Spain: Institut de Quimica Computational, 2012. str. 64-64 (predavanje, međunarodna recenzija, sažetak, znanstveni)
xgironaseminar.files.wordpress.com
49.

Barić, Danijela; Kovačević, Borislav; Sandala, Gregory, M.; Radom, Leo; Smith, David, M.
Sucidal Inactivation of B12-dependent Dehydratases – QM//MM Study // ICPOC 21: Book of Abstracts / Williams, I., Butts, C., Buurma, M., Croft, A. (ur.).
Durham, UK: RSC, IUPAC, 2012. str. B09-B09 (predavanje, međunarodna recenzija, sažetak, znanstveni)
50.

Smith, David M; Bucher, Denis; Sandala, Gregory M; Durbeej, Bo; Radom, Leo
An Elusive Radical Intermediate in the Coenzyme-B12-Mediated Reactions // From Solid State To BioPhysics VI - 'From Basic To Life Sciences'
Cavtat, Hrvatska, 2012. (plenarno, sažetak, ostalo)
dubrovnik2014.epfl.ch

Mentorstva

1.

Brkljača, Zlatko
Application of Computational Methods to the Structural and Functional Properties of Flexible Chiral Molecules, 2016., doktorska disertacija, Naturwissenschaftliche Fakultät / Prirodoslovno-matematički fakultet, Erlangen, Njemačka
opus4.kobv.de
2.

Miličević, Zoran
The role of water in the electrophoretic mobility of hydrophobic objects, 2016., doktorska disertacija, Naturwissenschaftliche Fakultät / Prirodoslovno-matematički fakultet, Erlangen, Njemačka
opus4.kobv.de
3.

Brkljača, Zlatko
Simulacija strukture metionin-enkefalina i njegovog neprirodnog analoga metodom molekulske dinamike, 2009., diplomski rad, diplomski, Prirodoslovno-matematički, Zagreb
4.

Miličević, Zoran
Proučavanje hidratacije hidrofobnih čestica molekularno dinamičkim simulacijama, 2009., diplomski rad, diplomski, Prirodoslovno-matematički fakultet, Zagreb
5.

Čondić-Jurkić, Karmen
Računalna studija mehanizma piruvat-formijat-liaze, 2006., diplomski rad, Prirodoslovno-matematički fakultet (Kemijski odsjek), Zagreb

Prijevodi

Trenutno nema povezanih zapisa s profilom.

Uredništva knjiga i zbornika

1.

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: Centre for Computational Solutions in the Life Sciences, 2009 (zbornik)
2.

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: Centre for Computational Solutions in the Life Sciences, 2007 (zbornik)

Koautori

Istaknuti radovi

Svi radovi

Ana Sunčana Smith

Danijela Barić

Borislav Kovačević

Karmen Čondić-Jurkić

Nataša Vučemilović-Alagić

Christian Rainer Wick

Zlatko Brkljača

Luka Bilić

Darko Babić

Zvonimir Maksić

Antonija Tomić

Matija Gredičak

Damir Kralj

Marko Hanževački

Lara Jurković

Sanja Tomić

Ivan Dragicevic

Manda Ćurić

Andreja Jakas

Tihomir Balog

Saša Kazazić

Ivanka Jerić

Marija Abramić

Marko Ukrainczyk

Marko Tomin

Tin Klanjšček

Anet Režek Jambrak

Silva Katušić Hećimović

Marijan Ahel

Aleksandar Sabljić

Ines Despotović

Nevenko Bilić

Mirjana Maksić

Branka Mihaljević

Tarzan Legović

Tomislav Šmuc

Jasminka Špoljarić

Hrvoje Štefančić

Mia Brkljača

Branko Guberina

Valerije Vrček

Igor Weber

Mladen Žinić

Slavko Krajcar

Tibor Janči

Davor Šakić

Momir Mališ

Tvrtko Smital

Nadica Maltar Strmečki

Vladimir David

Danica Ramljak

Dejan Agić

Svetozar Musić

Tome Antičić