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Publikationen

Suchbegriffe: molecular modeling, . Treffer: 12


** = Publikationen gelistet in SCI/SSCI (veröffentlicht im Web of Science)
* = Publikationen in sonstigen peer-reviewten Journalen (ggf. noch nicht im WoS veröffentlicht)
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2023

** Brumovsky, M; Micic, V; Oborna, J; Filip, J; Hofmann, T; Tunega, D Iron nitride nanoparticles for rapid dechlorination of mixed chlorinated ethene contamination.

J HAZARD MATER. 2023; 442, 129988 WoS PubMed FullText FullText_BOKU

2022

** Brumovsky, M; Oborna, J; Micic, V; Malina, O; Kaslik, J; Tunega, D; Kolos, M; Hofmann, T; Karlicky, F; Filip, J Iron Nitride Nanoparticles for Enhanced Reductive Dechlorination of Trichloroethylene.

ENVIRON SCI TECHNOL. 2022; 56(7): 4425-4436. WoS PubMed FullText FullText_BOKU

** Gerzabek, MH; Aquino, AJA; Balboa, YIE; Galicia-Andres, E; Grancic, P; Oostenbrink, C; Petrov, D; Tunega, D A contribution of molecular modeling to supramolecular structures in soil organic matter(#).

J PLANT NUTR SOIL SC. 2022; 185(1): 44-59. WoS FullText FullText_BOKU

2021

** Galicia-Andres, E; Tunega, D; Gerzabek, MH; Oostenbrink, C On glyphosate-kaolinite surface interactions. A molecular dynamic study.

EUR J SOIL SCI. 2021; 72(3): 1231-1242. WoS FullText FullText_BOKU

2020

** Yang, S; Diem, M; Liu, JDH; Wesseling, S; Vervoort, J; Oostenbrink, C; Rietjens, IMCM Cellular levels and molecular dynamics simulations of estragole DNA adducts point at inefficient repair resulting from limited distortion of the double-stranded DNA helix.

ARCH TOXICOL. 2020; 94(4): 1349-1365. WoS PubMed FullText FullText_BOKU

2019

** Göritzer, K; Turupcu, A; Maresch, D; Novak, J; Altmann, F; Oostenbrink, C; Obinger, C; Strasser, R; Distinct Fcα receptor .

J Biol Chem. 2019; 294(38):13995-14008 WoS PubMed FullText FullText_BOKU

** Ma, S; Laurent, CVFP; Meneghello, M; Tuoriniemi, J; Oostenbrink, C; Gorton, L; Bartlett, PN; Ludwig, R Direct Electron-Transfer Anisotropy of a Site-Specifically Immobilized Cellobiose Dehydrogenase.

ACS CATAL. 2019; 9(8): 7607-7615. WoS FullText FullText_BOKU

** Vaneková, Z; Hubčík, L; Toca-Herrera, JL; Furtműller, PG; Valentová, J; Mučaji, P; Nagy, M; Study of Interactions between Amlodipine and Quercetin on Human Serum Albumin: Spectroscopic and Modeling Approaches..

Molecules. 2019; 24(3): WoS PubMed FullText FullText_BOKU

2018

** Sestak, S; Bella, M; Klunda, T; Gurska, S; Dzubak, P; Wols, F; Wilson, IBH; Sladek, V; Hajduch, M; Polakova, M; Kona, J N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi alpha-MannosidaseII.

CHEMMEDCHEM. 2018; 13(4): 373-383. WoS PubMed FullText FullText_BOKU

2017

** Bella, M; Yan, S; Sestak, S; Kozmon, S; Lin, CH; Mucha, J; Koos, M Synthesis of a beta-D-Psicofuranosyl Sulfone and Inhibitory-Activity Evaluation Against N-Acetylglucosaminyltransferase I.

EUR J ORG CHEM. 2017; (41): 6179-6191. WoS FullText FullText_BOKU

2014

** Lai, B; Hasenhindl, C; Obinger, C; Oostenbrink, C Molecular Dynamics Simulation of the Crystallizable Fragment of IgG1-Insights for the Design of Fcabs.

INT J MOL SCI. 2014; 15(1): 438-455. WoS FullText FullText_BOKU

2007

** Keller, B; Christen, M; Oostenbrink, C; van Gunsteren, WF On using oscillating time-dependent restraints in MD simulation..

J Biomol NMR. 2007; 37(1):1-14 WoS PubMed FullText FullText_BOKU

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