Chris Oostenbrink
Univ.Prof. Dr. Chris Oostenbrink
Department of Natural Sciences and Sustainable Resources Institute of Molecular Modeling and Simulation
Location Muthgasse 18, 1190 Wien
Email chris.oostenbrink@boku.ac.at
Tel: +43 1 47654-89401, 89411, 89419
ORCID: 0000-0002-4232-2556, opens in new window.
AuthorId : 6602520514, opens in new window.
ResearcherId : S-8002-2019
Career
- 2009 Professor for Biomolecular Modeling and Simulation
- 2004 - 2009 Assistent Professor for Computational Medicinal Chemistry and Toxicology, VU University, Amsterdam
- 2000 - 2004 PhD in Physical Chemistry, Swiss Federal Institute of Technology (ETH), Zurich
- 1995 - 2000 MSc in Chemistry, VU University, Amsterdam
- 1995 - 2000 MSc in Pharmaceutical Sciences, VU University Amsterdam
Awards
- Year: 2010 Awards: Starting Grant of the European Research Council
Projects
Load data
0 Projects found.
Publications
Load data
Knowledge Transfer to Society
Load data
Media
Load data
Presentations
120 lecures found.
Year: 2024 - Buffer region neural networks: A buffered scheme for polarizable QM/MM simulations with machine-learning
Art: Talk - Keynote Speaker (Invited Speaker)
Autoren: Oostenbrink, Ch
Event: Virapid Workshop 2024
Period: 26.02.2024 - 29.02.2024 | Location: Vienna, Austria | Organizer: University of Vienna
Year: 2024 - Free energies and enhanced sampling ofbiomolecular systems by accelerating enveloping distribution sampling
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Doctoral Journal Club 2024
Period: 24.06.2024 - 24.06.2024 | Location: Graz, Graz, Österreich | Organizer: University of Graz
Year: 2024 - Free energies and enhanced sampling from accelerated molecular dynamics simulation
Art: Talk - Keynote Speaker (Invited Speaker)
Autoren: Oostenbrink, Ch
Event: 2024 Workshop on Free Energy Methods in Drug Design
Period: 13.05.2024 - 15.05.2024 | Location: Leiden, Niederlande | Organizer: Free Energy Methods in Drug Design
Year: 2024 - Free energies and enhancedsampling from accelerated molecular dynamics simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Odyssey Therapeutics, Inc. 2024
Period: 21.08.2024 - 21.08.2024 | Location: Wien, Wien, Österreich | Organizer: BOKU University
Year: 2023 - Domain interactions investigated by SAXS
Art: Poster - Selected presentation
Autoren: Motycka, B; Csarman, F; Nagy, G; Tscheließnig, R; Oostenbrink, C; Hammel, M; Ludwig, R
Event: BioToP Conference 2023
Period: 19.06.2023 - 20.06.2023 | Location: Wien | Location: Wien | Location: Vienna, AUSTRIA | Location: Vienna, Austria | Organizer: University of Natural Resources and Life Sciences | Organizer: BioToP - BOKU International PhD programme | Organizer: Biomolecular Technology of Proteins
Year: 2023 - Characterization of soil microaggregates at the microscopic level using molecular dynamics
Art: Talk - Selected presentation
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: International Conference of European Clay Groups Association 2023
Period: 24.07.2023 - 27.07.2023 | Location: Bari
Year: 2023 - Molecular dynamics simulations as a tool in protein engineering
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: FEBS Advanced Course on Computational Approaches to Understanding and Engineering Enzyme Catalysis
Period: 26.09.2023 | Location: Zagreb, CROATIA
Year: 2023 - Predicting free-energy differences from accelerated envelopingdistribution sampling
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Seminar- Instituto de Biosistemas e Ciências Integrativas
Period: 16.03.2023 | Location: Lissabon, PORTUGAL
Year: 2023 - Applications of free-energy calculations from molecular dynamicssimulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: EUROPIN Summerschool
Period: 12.09.2023 | Location: Vienna, AUSTRIA
Year: 2023 - Predicting free-energy differences from accelerated enveloping distribution sampling
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Seminar Max F. Perutz Laboratories
Period: 29.06.2023 | Location: Vienna, AUSTRIA
Year: 2023 - A buffered scheme for polarizableQM/MM simulations with machine-learning
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: SIMPLAIX Workshop on "Machine Learning for Multiscale MolecularModeling",
Period: 02.05.2023 - 04.05.2023 | Location: Heidelberg, DEUTSCHLAND
Year: 2022 - Hot, Hotter, BuRNN: A new scheme for polarizable QM/MMsimulations with machine-learning
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: ISQBP Meeting
Period: 11.07.2022 | Location: Innsbruck, Austria
Year: 2022 - Molecular Modeling and Simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Central European Institute of Technology
Period: 24.06.2022 | Location: Brno, CZ
Year: 2022 - Molecular scale view at organo–mineral aggregates
Art: Talk - Selected presentation
Autoren: Galicia–Andrés, E; Oostenbrink, C; Gerzabek, MH; Tunega, D
Event: 22nd World Congress of Soil Sciences 2022
Period: 31.07.2022 - 05.08.2022 | Location: Glasgow, Scotland, UK
Year: 2022 - Modelling of soil organic matter and its interactions with clay minerals
Art: Talk - Selected presentation
Autoren: Gerzabek, M.H.; Galicia Andres; E., Escalona, Y.; Grancic, P; Petrov, D.; Tunega, D; Oostenbrink, C.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022
Period: 05.09.2022 - 08.09.2022 | Location: Trier, Germany
Year: 2021 - Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces
Art: Talk - Selected presentation
Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.
Event: 6. DWB Student Conference 2021 - Forest & Soil Science update
Period: 17.05.2021 | Location: Vienna, Austria | Location: Online | Organizer: Depertment of Forest and Soil Sciences, BOKU
Year: 2021 - Intermolecular Interactions between Soil Organic Matter and Clay Minerals
Art: Talk - Selected presentation
Autoren: Galicia-Andrés, E; Escalona, Y; Petrov, D; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: EUROSOIL 2021
Period: 23.08.2021 - 27.08.2021 | Location: Online | Location: Geneva, Switzerland
Year: 2021 - Free energies from molecular simulations: force fields and molecular interactions
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: 5th International Symposium on Bioinformatics
Period: 15.12.2021 | Location: Online
Year: 2021 - Affinity Tag-based Development and Manufacturing Platform for Non-platform Proteins
Art: Talk - Selected presentation
Autoren: Lingg, N; Fischer, A; Striedner, G; Oostenbrink, C; Schneider, R; Berkemeyer, M; Jungbauer, A
Event: 34th International Symposium on Preparative and Process Chromatography, e-PREP 2021
Period: 07.06.2021 - 09.06.2021 | Location: Online
Year: 2021 - A molecular dynamic study of Soil Organic Matter stabilization mechanisms
Art: Talk - Selected presentation
Autoren: Galicia-Andrés, E; Escalona, Y; Grančič, P; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: European Geosciences Union EGU General Assembly 2021
Period: 19.04.2021 - 30.04.2021 | Location: Online
Year: 2020 - GROMOS - programming
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: GROMOS programming Workshop
Period: 07.09.2020 - 09.09.2020 | Location: Hernstein, Austria
Year: 2020 - Molecular Models of Soil Organic Matter - Simulation meets Experiment
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Institute Seminar at the Institute of Soil, Water and Environmental Sciences, Agricultural Research Organization
Period: 26.11.2020 | Location: Rishon LeTsiyon, Israel
Year: 2020 - In silico models of Spike-Ace2 interactions
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Meeting - "Structural Biology meets Clinic"
Period: 02.12.2020 | Location: Graz, Austria
Year: 2020 - Computermodelle von Spike-ACE2-Wechselwirkungen zur Entwicklung von therapeutischen Proteinen
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: WWTF Vortragsreihe "Wien erforscht Corona"
Period: 15.10.2020 | Location: Vienna, Austria
Year: 2019 - Computational alchemy to study interactions of food components, drugs and enzymes
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Institute of Food, Nutrition and Health, ETH Zürich
Period: 05.03.2019 | Location: Zürich, Switzerland
Year: 2019 - Interaction between CDH and LPMO
Art: Poster - Selected presentation
Autoren: Breslmayr, E; Laurent, C; Scrutton, N; Oostenbrink, C; Ludwig, R; Kracher, D
Event: Gordon Research Conference "Carbohydrate-Active Enzymes for Glycan Conversions"
Period: 21.07.2019 - 26.07.2019 | Location: Andover, NH, USA
Year: 2019 - In Search of a Structural Pattern in Crazy Sugarsidentification of Conformation Clusters of the Oligosaccharides Within Glycoproteins with LEUS
Art: Talk - Selected presentation
Autoren: Turupcu, A; Oostenbrink, C
Event: 63rd Annual Meeting of the Biophysical-Society 2019
Period: 02.03.2019 - 06.03.2019 | Location: Baltimore, MD, USA
Year: 2019 - Applications of free-energy calculations from molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Europin summerschool on drug design
Period: 19.09.2019 | Location: Vienna, Austria
Year: 2019 - Molecular dynamics simulations of soil condensed phases
Art: Talk - Selected presentation
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 8th International Symposium on Interactions of Soil Minerals with Organic Components and Microorganisms
Period: 23.06.2019 - 28.06.2019 | Location: Seville, Spain
Year: 2019 - Simulation of Reversible Protein -Protein Binding at an Atomistic Scale
Art: Talk - Selected presentation
Autoren: Perthold, JW; Ohlknecht, C; Petrov, D; Oostenbrink, C
Event: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP)
Period: 20.07.2019 - 24.07.2019 | Location: Madrid, Spain
Year: 2019 - Applications and advances in the one-step perturbation approach
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Alchemical Free Energy Workshop, Univ. Göttingen
Period: 26.05.2019 | Location: Göttingen, Germany
Year: 2019 - Molecular dynamics simulations of soil organic matter
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Annual Meeting of the Soil Science Society of Switzerland and the German Soil Science Society 2019
Period: 24.08.2019 - 30.08.2019 | Location: Bern, Switzerland
Year: 2018 - Binding molecules with free-energy calculations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Meeting of the Netherlands Society for Biomolecular Modeling
Period: 16.11.2018 | Location: Utrecht, Netherlands
Year: 2018 - A fast and sensitive activity assay for lytic polysaccharide monooxygenase
Art: Talk - Selected presentation
Autoren: Breslmayr, E., Oostenbrink, C., Ludwig, R.
Event: OxiZymes 2018
Period: 08.07.2018 - 10.07.2018 | Location: Belfast, Northern Ireland, UK
Year: 2018 - Use of molecular dynamics in drug discovery
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Boehringer Ingelheim
Period: 03.09.2018 | Location: Vienna, Austria
Year: 2018 - Binding free energy calculations for allosteric modulators
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: CECAM workshop 'Compallo'
Period: 10.04.2018 | Location: Lausanne, Switzerland
Year: 2018 - Interaction of organic molecules with reactive soil interfaces – molecular modeling and simulation
Art: Talk - Selected presentation
Autoren: Gerzabek, MH; Tunega, D; Petrov, D; Andres, EG; Grančič, P; Georgieva, I; Aquino, AJA; Lischka, H; Oostenbrink, C
Event: 21st World Congress of Soil Science WCSS 2018
Period: 12.08.2018 - 17.08.2018 | Location: Rio de Janeiro, Brazil
Year: 2018 - Modeling and simulations of post-translational modifications and glycosylated proteins
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Conference 'Two days of proteostasis'
Period: 11.10.2018 - 12.10.2018 | Location: Konstanz, Germany
Year: 2018 - Microscopic analysis of the structure, dynamics and absorption properties of the standard Leonardite humic acid using molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Petrov, D; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 21st World Congress of Soil Science WCSS 2018
Period: 12.08.2018 - 17.08.2018 | Location: Rio de Janeiro, Brazil
Year: 2018 - Influence of force field, environmental changes and post-translational modifications on protein structure and stability
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: CECAM workshop 2018 - Proteins in realistic environments
Period: 23.05.2018 - 25.05.2018 | Location: Stuttgart, Germany
Year: 2017 - 1. Calculation of binding free energy 2. Prediction of Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Universität of Kopenhagen
Period: 06.03.2017 | Location: Copenhagen, Denmark
Year: 2017 - Reversible guest-host interactions from extensive simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: CeCAM Workshop Challenges across Large-Scale Biomolecular and Polymer Simulations
Period: 23.02.2017 | Location: Vienna, Austria
Year: 2017 - Affinity of protein-ligand and protein-protein interactions from molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: VU University Amsterdam
Period: 19.06.2017 | Location: Amsterdam, Netherlands
Year: 2017 - Robust free-energy calculations from a small number of simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Bioexcel/Compbiomed Free Energy Workshop
Period: 31.05.2017 | Location: London, UK
Year: 2017 - Modelling of interactions of polar and nonpolar pollutants with soil minerals and soil organic matter
Art: Talk - Selected presentation
Autoren: Tunega D., Gerzabek M.H., Šolc R., Petrov D., Haberhauer G., Georgieva I., Aquino A.J.A., Oostenbrink C., Lischka H.
Event: Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2017
Period: 02.09.2017 - 07.09.2017 | Location: Göttingen, Germany
Year: 2017 - Rational antibody humanization assisted by molecular dynamics simulations
Art: Poster - Selected presentation
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
Event: 9th International Conference on Recombinant Protein Production RPP9 2017
Period: 23.04.2017 - 25.04.2017 | Location: Dubrovnik, Croatia
Year: 2017 - Enhanced sampling tricks for free energies in drug design and metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: CeCAM Workshop Beyond Kd's
Period: 06.06.2017 | Location: Lausanne, Switzerland
Year: 2017 - Applied Statistical Thermodynamics 2017: from theory to molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Fundacion de Sciencia y Vida, Santiago de Chile
Period: 25.11.2017 | Location: Santiago de Chile, Chile
Year: 2017 - Rational antibody humanization assisted by molecular dynamics simulations
Art: Poster - Selected presentation
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
Event: 25th ESACT Meeting 2017
Period: 14.05.2017 - 17.05.2017 | Location: Lausanne, Switzerland
Year: 2017 - Applications of free-energy calculations from molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch.;
Event: Drug Design Summerschool, University of Vienna, Vienna, Austria
Period: 19.09.2017 | Location: Vienna, Austria
Year: 2016 - Characterization and Expression of PQQ-dependent Quinohemoprotein Pyranose Dehydrogenases
Art: Talk - Selected presentation
Autoren: Schütz, G; Schmidt, D; Laurent, C; Obinger, C; Oostenbrink, C; Haltrich, D
Event: OxiZymes 2016
Period: 03.07.2016 - 06.07.2016 | Location: Wageningen, Netherlands
Year: 2016 - Alchemical changes from molecular dynamics simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: CA' Foscari University of Venice
Period: 21.10.2016 | Location: Venice, Italy
Year: 2016 - Alchemical changes from molecular dynamics simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: GÖCh Seminar
Period: 17.10.2016 | Location: Innsbruck, Austria
Year: 2016 - Approximating robust free-energy methods using a small number of simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Vertex Free-Energy Workshop, Boston, USA
Period: 15.05.2016 - 18.05.2016 | Location: Boston, MA, USA
Year: 2016 - Ensembles and sampling, leading to molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: 13th Greta Pifat Mrzljak International School of Biophysics 2016
Period: 01.09.2016 - 10.09.2016 | Location: Split, Croatia
Year: 2016 - Free-energy calculations for ligand binding: pathways and promiscuity
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: 6th Visegrad Symposium on Structural Systems Biology
Period: 19.06.2016 - 21.06.2016 | Location: Warsaw, Poland
Year: 2016 - Calculation of free energys from molecular simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: 13th Greta Pifat Mrzljak International School of Biophysics 2016
Period: 01.09.2016 - 10.09.2016 | Location: Split, Croatia
Year: 2016 - Alchemical changes from molecular dynamics simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Cecam Workshop - Exploring Chemical Space with Machine Learning and Quantum Mechanics
Period: 30.05.2016 - 03.06.2016 | Location: Zürich, Switzerland
Year: 2016 - Dioxygen evolution by chlorite dismutase depends on co-ordination of transiently produced hypochlorite to an oxoiron(IV) intermediate
Art: Talk - Selected presentation
Autoren: Hofbauer, S., Grünwald-Gruber, C., Schaffner, I., Sündermann, A., Jakopitsch, C., Oostenbrink, C., Djinovic-Carugo, K., Furtmüller, P.G., Obinger, C.
Event: 79th Harden Conference on Oxygen Evolution and Reduction
Period: 16.04.2016 - 20.04.2016 | Location: Innsbruck, Austria
Year: 2015 - Sampling to score in molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: 15th International Conference on BioInformatics and BioEngineering- BIBE 2015
Period: 02.11.2015 - 03.11.2015 | Location: Belgrade, Republic of Serbia
Year: 2015 - Molecular models and simulations of complex systems: structure, dynamics and interactions
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: TNO Research
Period: 02.02.2015 | Location: Zeist, Netherlands
Year: 2015 - Biomolecular simulations of Cytochrome P450 enzymes ... and some other proteins
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Mini Symposium VU University Amsterdam 2015
Period: 02.04.2015 - 03.04.2015 | Location: Amsterdam, Netherlands
Year: 2015 - Course on Applied Statistical Thermodynamics
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Applied Statistical Thermodynamics 2015 - Workshop in Life Sciences Foundation
Period: 16.11.2015 - 30.11.2015 | Location: Santiago de Chile, Chile
Year: 2015 - Simulations of weird, but defined, and common, but undefined, molecules
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Kings Collage
Period: 30.04.2015 | Location: London, UK
Year: 2015 - BIOMOLECULAR SIMULATIONS OF CYTOCHROME P450 ENZYMES
Art: Talk - Selected presentation
Autoren: Oostenbrink, C
Event: 19th North American Meeting of the International-Society-for-the-Study-of-Xenobiotics ISSX and 29th Meeting of the Japanese-Society-for-the-Study-of-Xenobiotics JSSX 2015
Period: 19.10.2014 - 23.10.2014 | Location: San Francisco, CA, USA
Year: 2015 - 1. Calculation of Binding Free Energy, 2. Prediction of Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Workshop University of Copenhagen
Period: 02.03.2015 | Location: Copenhagen, Denmark
Year: 2015 - Protein-ligand binding from distancefield distances and Hamiltonian replica exchange simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, Ch;
Event: Cecam Workshop
Period: 16.09.2015 - 18.09.2015 | Location: Vienna, Austria
Year: 2014 - Binding free-energy calculations involving a net charge change
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Workshop on Free Energy Methods in Drug Design
Period: 17.05.2014 - 21.05.2014 | Location: Boston, MA, USA
Year: 2014 - Binding free energy, enthalpy and entropy – from a toy system to the real thing
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: CeCAM Workshop on Biomolecular Entropy
Period: 14.05.2014 - 16.05.2014 | Location: Vienna, Austria
Year: 2014 - Calculation of free energies from molecular simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Period: 27.09.2014 - 06.10.2014 | Location: Primosten, Croatia
Year: 2014 - Structure refinement using molecular dynamics simulations (NMR observables)
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Period: 27.09.2014 - 06.10.2014 | Location: Primosten, Croatia
Year: 2014 - Calculation of free energy
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Copenhagen University
Period: 24.02.2014 - 25.02.2014 | Location: Copenhagen, Denmark | Location: Copenhagen, Denmark
Year: 2014 - Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Konferenz Deajeong University
Period: 06.06.2014 - 17.06.2014 | Location: Seoul, South Korea
Year: 2014 - Molecular models and simulations of soil organic matter: structure, dynamics and interactions with other entities
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: International Symposium on: Biogeochemical interfaces in soil – towards a comprehensive and mechanistic understanding of soil functions
Period: 06.10.2014 - 08.10.2014 | Location: Leipzig, Germany
Year: 2014 - Mechanism of inhibition of chlorite dismutase
Art: Talk - Selected presentation
Autoren: Hofbauer, S., Schaffner, I., Gruber, C., Pirker, K.F., Jakopitsch, C., Sündermann, A., Oostenbrink, C., Furtmüller, P.G., Obinger, C.
Event: OxiZymes 2014
Period: 01.07.2014 - 04.07.2014 | Location: Vienna, Austria | Organizer: Vienna Institute of Biotechnology (VIBT) of the University of Natural Resources and Life Sciences, Vienna
Year: 2014 - Pyranose degydrogenase active-site mutants: simulation vs. experiment
Art: Poster - Selected presentation
Autoren: Graf, M.M.H.; Bren, U.; Sucharitakul, J.; Chaiyen, P.; Oostenbrink, C.; Haltrich, D.
Event: 6th ÖGMBT Annual Meeting 2014 - Life Sciences meet Entrepreneurship
Period: 15.09.2014 - 18.09.2014 | Location: Vienna, Austria
Year: 2014 - Biomolecular simulations of Cytochromes P450
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 19th North American meeting of the International Society for the Study of Xenbiotics
Period: 19.10.2014 - 23.10.2014 | Location: San Francisco, CA, USA
Year: 2014 - Molecular simulation techniques for complex biomolecular systems
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Annual meeting of Biophysics Austria and of the Austrian Society for Molecular Biosciences and Biotechnology (ÖGBMT)
Period: 15.09.2014 | Location: Vienna, Austria
Year: 2014 - Free-energy calculations for ligand binding: pathways and promiscuity
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: MGMS Meeting - Modeling Molecules and Materials
Period: 20.08.2014 - 22.08.2014 | Location: Glasgow, Scotland, UK
Year: 2014 - Binding free energy, enthalpy and entropy – from a toy system to the real thing
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Workshop Molecular Recognition
Period: 06.08.2014 - 14.08.2014 | Location: Telluride, CO, USA
Year: 2014 - Ensembles and sampling, leading to molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Period: 27.09.2014 - 06.10.2014 | Location: Primosten, Croatia
Year: 2014 - Molecular simulation techniques for complex soil systems
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 20th World Congress on Soil Science
Period: 08.06.2014 - 13.06.2014 | Location: Jeju, South Korea
Year: 2014 - Prediction of Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Copenhagen University
Period: 24.02.2014 - 25.02.2014 | Location: Copenhagen, Denmark | Location: Copenhagen, Denmark
Year: 2013 - Sampling to score in molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Univ. Darmstadt, D
Period: 23.01.2013 | Location: Darmstadt, Germany
Year: 2013 - Sampling to score in molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Univ. Basel, CH
Period: 29.04.2013 - 30.04.2013 | Location: Basel, Switzerland
Year: 2013 - Sampling to score in molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: “Thirty-seven years of biomolecular simulation”, Symposium ETH Zürich, CH
Period: 17.05.2013 | Location: Zürich, Switzerland
Year: 2013 - Structure refinement by using experimental restraints in molecular dynamics simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Mini Symposium Bio Nano Imaging 2013
Period: 22.05.2013 | Location: Vienna, Austria
Year: 2013 - 1. Calculation of Binding Free Energy 2. Prediction of Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Univ. Copenhagen, DK
Period: 11.02.2013 | Location: Copenhagen, Denmark
Year: 2013 - Humic substances (HS) models – water and cations bridges
Art: Talk - Selected presentation
Autoren: Gerzabek, M.H., Aquino, A.J.A, Haberhauer, G., Solc, R., Pasalic, H., Lischka, H., Oostenbrink, C., Schaumann, G., Tunega, D.
Event: IUSS-Global Soil Carbon Conference
Period: 03.06.2013 - 06.06.2013 | Location: Madison, WI, USA
Year: 2013 - Biomolecular simulations on Cytochrome P450 enzymes
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Univ. Szeged, Ungarn
Period: 27.03.2013 - 29.03.2013 | Location: Szeged, Hungary
Year: 2013 - Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Gedeon Richter, Budapest, Ungarn
Period: 21.10.2013 - 22.10.2013 | Location: Budapest, Hungary
Year: 2013 - Biomolecular simulations to rationalize and predict protein behaviour
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: MolTag Seminar, University of Vienna 2013
Period: 04.04.2013 | Location: Vienna, Austria
Year: 2013 - Calculating free energies from molecular simulations: where sampling and scoring comes together
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: European Bioinformatics Institute, Cambridge, UK
Period: 09.07.2013 | Location: Cambridge, UK
Year: 2013 - Sampling and scoring for binding free energy differences
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Workshop - New trends in Computational Chemistry for Industry Applications, Barcelona, Spanien
Period: 23.05.2013 - 24.05.2013 | Location: Barcelona, Spain
Year: 2012 - 1: Force-field development 2: Calculation of free energy 3: Structure refinement
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 10th NCCR Practical Course 2012 - Biomolecular Modeling
Period: 09.01.2012 - 13.01.2012 | Location: Kandersteg, Switzerland
Year: 2012 - Biomolecular simulations to rationalize and predict protein behaviour
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Doktoratsseminar Universität Graz 2012
Period: 30.11.2012 | Location: Graz, Austria
Year: 2012 - Structure and thermodynamics of (bio)molecular complexes from comput-er simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 7th Vienna International Conference on Mathematical Modelling MATHMOD 2012
Period: 15.02.2012 - 17.02.2012 | Location: Vienna, Austria
Year: 2012 - Redox theromdynamics of diverse chlorite dismutases
Art: Poster - Selected presentation
Autoren: Hofbauer, S. Bellei, M. Sündermann, A. Kostan, J. Daims, H. Djinović-Carugo, K. Oostenbrink, C. Furtmüller, P.G. Battistuzzi, G. & Obinger, C.
Event: OxiZymes 2012
Period: 16.09.2012 - 19.09.2012 | Location: Marseille, France
Year: 2012 - 1: Calculculation of Binding Free Energy 2: Prediction of Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: University of Copenhagen 2012
Period: 03.02.2012 | Location: Copenhagen, Denmark
Year: 2012 - In silico ADME and predictive Toxicology: Metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: SafeSciMET course University of Copenhagen 2012
Period: 09.05.2012 - 10.05.2012 | Location: Copenhagen, Denmark
Year: 2012 - Affiniteit en binding
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Alumni-day of Chemistry at VU University, Amsterdam 2012
Period: 10.05.2012 - 16.05.2012 | Location: Amsterdam, Netherlands
Year: 2012 - 1: Ensembles and sampling leading to molecular dynamics simulations 2: Structure refinement using molecular dynamics simulations (NMR observables) 3: Calculation of free energy from molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: 11th Greta Pifat Mrzljak International School of Biophysics 2012
Period: 30.09.2012 - 09.10.2012 | Location: Primosten, Croatia
Year: 2012 - Structure and dynamics of Cytochromes P450 from molecular simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: MDO / ISSX Meeting 2012
Period: 16.06.2012 - 21.06.2012 | Location: Noordwijk, Netherlands
Year: 2012 - Molecular Modeling and Simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C;
Event: Workshop Nanostructured Materials for Biomedical Applications Vienna-Brno-Olomouc 2012
Period: 16.10.2012 | Location: Brno, Czech Republic
Year: 2011 - Free energy calculations from molecular simulations - where sampling and scoring comes together
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: Mini-Symposium zur Informatikgestützten Chemie 2011
Period: 20.06.2011 | Location: Zürich, Switzerland
Year: 2011 - Free energy calculations from molecular simulations.
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: Max F. Perutz Laboratories Wien 2011
Period: 31.03.2011 | Location: Vienna, Austria
Year: 2011 - Barriers in binding biomolecular free energy differences
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.
Event: SimBioMa Conference 2011
Period: 28.09.2011 - 01.10.2011 | Location: Konstanz, Germany
Year: 2011 - Structure and flexibility of Cytochrome P40 enzymes from molecular simulation
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.
Event: MipTec 2011
Period: 19.09.2011 - 22.09.2011 | Location: Basel, Switzerland
Year: 2011 - Computational chemistry and advanced physiochemical characterization
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.
Event: DFG-SPP 1315 Workshop, TG 5, BOKU, Molecular simulation techniques for complex systems 2011
Period: 10.01.2011 | Location: Vienna, Austria
Year: 2011 - Prediction of metabolism
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: PhD Course University of Copenhagen 2011
Period: 09.02.2011 | Location: Copenhagen, Denmark
Year: 2011 - "Biomolecular Simulation"
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.
Event: Short Course and Workshop at Pancasila University 2011
Period: 28.07.2011 - 30.07.2011 | Location: Jakarta, Indonesia
Year: 2011 - Calculation of Binding Free Energy
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: PhD Course University of Copenhagen 2011
Period: 09.02.2011 | Location: Copenhagen, Denmark
Year: 2011 - Free energy calculations from molecular simulations
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: Avexxin AS 2011
Period: 24.06.2011 | Location: Trondheim, Norway
Year: 2011 - Molecular modeling and simulation to explore the structure and dynamics of biomolecular complexes
Art: Talk - Selected presentation
Autoren: Oostenbrink, C.,
Event: Seminar The New Challenges of Natural Medicine Development 2011
Period: 23.07.2011 | Location: Jakarta, Indonesia
Year: 2010 - Modeling and simulation to explore the structure and dynamics of biomolecular complexes.
Art: Talk - Selected presentation
Autoren: Chris, Oostenbrink
Event: Vienna Institute of Bio Technology 2010
Period: 29.04.2010 | Location: Vienna, Austria
Year: 2010 - "Free energy calculations from molecular simulation - where sampling and scoring comes together"
Art: Talk - Selected presentation
Autoren: Chris Oostenbrink, Dr.
Event: Conference Molecular Modeling of the Australasian molecular modeling association Melbourne 2010
Period: 29.11.2010 | Location: Melbourne, Australia
Year: 2010 - The role of water molecules in docking studies of Cytochrome P450 2D6
Art: Talk - Selected presentation
Autoren: Chris, Oostenbrink
Event: 240th National Fall Meeting of the American Chemical Society ACS 2010
Period: 23.08.2010 | Location: Boston, MA, USA
Year: 2010 - Free energy calculations for multiple conformations using enhanced sampling techniques.
Art: Talk - Selected presentation
Autoren: Chris, Oostenbrink
Event: Multiscale Molecular Modeling
Period: 03.07.2010 | Location: Edinburgh, Scotland, UK
Year: 2010 - Structure and (thermo)dynamics of biomolecular complexes from computer simulation
Art: Talk - Selected presentation
Autoren: Chris Oostenbrink, Dr.
Event: Seminar-University of Queensland
Period: 15.11.2010 | Location: Brisbane, Australia
Year: 2009 - Binding thermodynamics from molecular simulation
Art: Talk - Selected presentation
Autoren: Chris Oostenbrink
Event: Seminar series 2009 - Computational Life Sciences
Period: 11.12.2009 | Location: Vienna, Austria
Supervised Theses
Load data
Community Services
Load data