Chris Oostenbrink
Univ.Prof. Dr. Chris Oostenbrink
Büro des Departments für Materialwissenschaften und Prozesstechnik
Institute of Molecular Modeling and Simulation (MMS)
Location Muthgasse 18, 1190 Wien
Email chris.oostenbrink@boku.ac.at
Tel: +43 1 47654-89401, 89411, 89419
ORCID: 0000-0002-4232-2556
6602520514: AuthorId
S-8002-2019: ResearcherId
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
0 Projects found.
Publications
Knowledge Transfer to Society
Media
Lectures
Year: 2023 - Molecular dynamics simulations as a tool in protein engineering
Autoren: Oostenbrink, Ch;
Event: FEBS Advanced Course on Computational Approaches to Understanding and Engineering Enzyme Catalysis
Year: 2023 - Predicting free-energy differences from accelerated envelopingdistribution sampling
Autoren: Oostenbrink, Ch;
Event: Seminar- Instituto de Biosistemas e Ciências Integrativas
Year: 2023 - Applications of free-energy calculations from molecular dynamicssimulations
Autoren: Oostenbrink, Ch;
Event: EUROPIN Summerschool
Year: 2023 - Predicting free-energy differences from accelerated enveloping distribution sampling
Autoren: Oostenbrink, Ch;
Event: Seminar Max F. Perutz Laboratories
Year: 2023 - A buffered scheme for polarizableQM/MM simulations with machine-learning
Autoren: Oostenbrink, Ch;
Event: SIMPLAIX Workshop on "Machine Learning for Multiscale MolecularModeling",
Year: 2022 - Hot, Hotter, BuRNN: A new scheme for polarizable QM/MMsimulations with machine-learning
Autoren: Oostenbrink, Ch;
Event: ISQBP Meeting
Year: 2022 - Molecular Modeling and Simulation
Autoren: Oostenbrink, Ch;
Event: Central European Institute of Technology
Year: 2022 - Molecular scale view at organo–mineral aggregates
Autoren: Galicia–Andrés, E; Oostenbrink, C; Gerzabek, MH; Tunega, D
Event: 22nd World Congress of Soil Sciences 2022
Year: 2022 - Modelling of soil organic matter and its interactions with clay minerals
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
Year: 2021 - Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces
Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.
Event: 6. DWB Student Conference 2021 - Forest & Soil Science update
Year: 2021 - Intermolecular Interactions between Soil Organic Matter and Clay Minerals
Autoren: Galicia-Andrés, E; Escalona, Y; Petrov, D; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: EUROSOIL 2021
Year: 2021 - Free energies from molecular simulations: force fields and molecular interactions
Autoren: Oostenbrink, Ch;
Event: 5th International Symposium on Bioinformatics
Year: 2021 - Affinity Tag-based Development and Manufacturing Platform for Non-platform Proteins
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
Year: 2021 - A molecular dynamic study of Soil Organic Matter stabilization mechanisms
Autoren: Galicia-Andrés, E; Escalona, Y; Grančič, P; Oostenbrink, C; Tunega, D; Gerzabek, MH
Event: European Geosciences Union EGU General Assembly 2021
Year: 2020 - GROMOS - programming
Autoren: Oostenbrink, Ch;
Event: GROMOS programming Workshop
Year: 2020 - Molecular Models of Soil Organic Matter - Simulation meets Experiment
Autoren: Oostenbrink, Ch;
Event: Institute Seminar at the Institute of Soil, Water and Environmental Sciences, Agricultural Research Organization
Year: 2020 - In silico models of Spike-Ace2 interactions
Autoren: Oostenbrink, Ch;
Event: Meeting - "Structural Biology meets Clinic"
Year: 2020 - Computermodelle von Spike-ACE2-Wechselwirkungen zur Entwicklung von therapeutischen Proteinen
Autoren: Oostenbrink, Ch;
Event: WWTF Vortragsreihe "Wien erforscht Corona"
Year: 2019 - Computational alchemy to study interactions of food components, drugs and enzymes
Autoren: Oostenbrink, Ch;
Event: Institute of Food, Nutrition and Health, ETH Zürich
Year: 2019 - Interaction between CDH and LPMO
Autoren: Breslmayr, E; Laurent, C; Scrutton, N; Oostenbrink, C; Ludwig, R; Kracher, D
Event: Gordon Research Conference "Carbohydrate-Active Enzymes for Glycan Conversions"
Year: 2019 - In Search of a Structural Pattern in Crazy Sugarsidentification of Conformation Clusters of the Oligosaccharides Within Glycoproteins with LEUS
Autoren: Turupcu, A; Oostenbrink, C
Event: 63rd Annual Meeting of the Biophysical-Society 2019
Year: 2019 - Structural modifications to Neurospora crassa LPMO9C and their effect on the catalytic activity
Autoren: Laurent C V F P, Sun P, Cannazza P, Breslmayr E, Scheiblbrandner S, Frommhagen M, van Berkel W J H, Oostenbrink C, Kabel M A, Ludwig
Event: 14th International Symposium on Biocatalysis and Biotransformation BioTrans 2019
Year: 2019 - Applications of free-energy calculations from molecular dynamics simulations
Autoren: Oostenbrink, Ch;
Event: Europin summerschool on drug design
Year: 2019 - Molecular dynamics simulations of soil condensed phases
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 8th International Symposium on Interactions of Soil Minerals with Organic Components and Microorganisms
Year: 2019 - Simulation of Reversible Protein -Protein Binding at an Atomistic Scale
Autoren: Perthold, JW; Ohlknecht, C; Petrov, D; Oostenbrink, C
Event: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP)
Year: 2019 - Applications and advances in the one-step perturbation approach
Autoren: Oostenbrink, Ch;
Event: Alchemical Free Energy Workshop, Univ. Göttingen
Year: 2019 - Structural Aspects of UDP-N-Acetyl-D-Galactosamine:polypeptide N-Acetylgalactosaminyltransferase from the Snail Biomphalaria glabrata.
Autoren: Turupcu, A; Poliak, P; Margreitter, C; Oostenbrink, C; Staudacher, E;
Event: Glyco 25 XXV International Symposium on Glycoconjugates
Year: 2019 - Molecular dynamics simulations of soil organic matter
Autoren: Oostenbrink, Ch;
Event: Annual Meeting of the Soil Science Society of Switzerland and the German Soil Science Society 2019
Year: 2018 - Binding molecules with free-energy calculations
Autoren: Oostenbrink, Ch;
Event: Meeting of the Netherlands Society for Biomolecular Modeling
Year: 2018 - A fast and sensitive activity assay for lytic polysaccharide monooxygenase
Autoren: Breslmayr, E., Oostenbrink, C., Ludwig, R.
Event: OxiZymes 2018
Year: 2018 - Use of molecular dynamics in drug discovery
Autoren: Oostenbrink, Ch;
Event: Boehringer Ingelheim
Year: 2018 - Binding free energy calculations for allosteric modulators
Autoren: Oostenbrink, Ch;
Event: CECAM workshop 'Compallo'
Year: 2018 - Interaction of organic molecules with reactive soil interfaces – molecular modeling and simulation
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
Year: 2018 - A fast and sensitive LPMO activity assay
Autoren: Breslmayr, E; Hanzek, M; Oostenbrink, C; Ludwig, Roland;
Event: 2nd Symposium on the Chemistry, Biology and Application of Lytic Polysaccharide Monooxygenases
Year: 2018 - Insights into the modeling of cello-oligosaccharides and lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C;
Event: 22nd Austrian Carbohydrate Workshop 2018
Year: 2018 - Modeling and simulations of post-translational modifications and glycosylated proteins
Autoren: Oostenbrink, Ch;
Event: Conference 'Two days of proteostasis'
Year: 2018 - Microscopic analysis of the structure, dynamics and absorption properties of the standard Leonardite humic acid using molecular dynamics simulations
Autoren: Petrov, D; Tunega, D; Gerzabek, MH; Oostenbrink, C
Event: 21st World Congress of Soil Science WCSS 2018
Year: 2018 - Humanization of a mouse antibody and subsequent analysis of expected immunogenicity by molecular dynamics simulations and in-silico T-cell epitope predictions.
Autoren: Mayrhofer, P; Schwaigerlehner, L; Oostenbrink, C; Kunert, R
Event: Antibody Engineering & Therapeutics 2018
Year: 2018 - Influence of force field, environmental changes and post-translational modifications on protein structure and stability
Autoren: Oostenbrink, Ch;
Event: CECAM workshop 2018 - Proteins in realistic environments
Year: 2017 - 1. Calculation of binding free energy 2. Prediction of Metabolism
Autoren: Oostenbrink, Ch;
Event: Universität of Kopenhagen
Year: 2017 - Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Pechlaner, M; Mayrhofer, P; Oostenbrink, C; Kunert, R
Event: 25th ESACT Meeting 2017
Year: 2017 - Reversible guest-host interactions from extensive simulations
Autoren: Oostenbrink, Ch;
Event: CeCAM Workshop Challenges across Large-Scale Biomolecular and Polymer Simulations
Year: 2017 - Affinity of protein-ligand and protein-protein interactions from molecular simulations
Autoren: Oostenbrink, Ch;
Event: VU University Amsterdam
Year: 2017 - Robust free-energy calculations from a small number of simulations
Autoren: Oostenbrink, Ch;
Event: Bioexcel/Compbiomed Free Energy Workshop
Year: 2017 - Modelling of interactions of polar and nonpolar pollutants with soil minerals and soil organic matter
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
Year: 2017 - Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
Event: 9th International Conference on Recombinant Protein Production RPP9 2017
Year: 2017 - Lytic Polysaccharide Monooxygenase Assay
Autoren: Breslmayr, E; Oostenbrink, C; Ludwig, R
Event: Gordon Research Conference 2017 - Cellulases and Other Carbohydrate-Active Enzymes
Year: 2017 - Enhanced sampling tricks for free energies in drug design and metabolism
Autoren: Oostenbrink, Ch;
Event: CeCAM Workshop Beyond Kd's
Year: 2017 - Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
Event: 25th ESACT Meeting 2017
Year: 2017 - Applied Statistical Thermodynamics 2017: from theory to molecular dynamics simulations
Autoren: Oostenbrink, Ch;
Event: Fundacion de Sciencia y Vida, Santiago de Chile
Year: 2017 - Active site investigation of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Event: 27th International BIOMOS Symposium on Biomolecular Simulation 2017
Year: 2017 - Importance of Copper Charge on the Substrate Specificity of Lytic Polysaccharide Monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Event: Carbohydrate Bioengineering Meeting 2017
Year: 2017 - Applications of free-energy calculations from molecular dynamics simulations
Autoren: Oostenbrink, Ch.;
Event: Drug Design Summerschool, University of Vienna, Vienna, Austria
Year: 2016 - Characterization and Expression of PQQ-dependent Quinohemoprotein Pyranose Dehydrogenases
Autoren: Schütz, G; Schmidt, D; Laurent, C; Obinger, C; Oostenbrink, C; Haltrich, D
Event: OxiZymes 2016
Year: 2016 - Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Event: 1st LPMO Symposium
Year: 2016 - Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Event: 26th Intl. BIOMOS Symposium
Year: 2016 - Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
Event: CA' Foscari University of Venice
Year: 2016 - Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
Event: GÖCh Seminar
Year: 2016 - Approximating robust free-energy methods using a small number of simulations
Autoren: Oostenbrink, Ch;
Event: Vertex Free-Energy Workshop, Boston, USA
Year: 2016 - Ensembles and sampling, leading to molecular dynamics simulations
Autoren: Oostenbrink, Ch;
Event: 13th Greta Pifat Mrzljak International School of Biophysics 2016
Year: 2016 - Free-energy calculations for ligand binding: pathways and promiscuity
Autoren: Oostenbrink, Ch;
Event: 6th Visegrad Symposium on Structural Systems Biology
Year: 2016 - Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Event: 8th ÖGMBT Annual Meeting 2016
Year: 2016 - Calculation of free energys from molecular simulation
Autoren: Oostenbrink, Ch;
Event: 13th Greta Pifat Mrzljak International School of Biophysics 2016
Year: 2016 - Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
Event: Cecam Workshop - Exploring Chemical Space with Machine Learning and Quantum Mechanics
Year: 2016 - Dioxygen evolution by chlorite dismutase depends on co-ordination of transiently produced hypochlorite to an oxoiron(IV) intermediate
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
Year: 2015 - Sampling to score in molecular simulations
Autoren: Oostenbrink, Ch;
Event: 15th International Conference on BioInformatics and BioEngineering- BIBE 2015
Year: 2015 - Molecular models and simulations of complex systems: structure, dynamics and interactions
Autoren: Oostenbrink, Ch;
Event: TNO Research
Year: 2015 - Biomolecular simulations of Cytochrome P450 enzymes ... and some other proteins
Autoren: Oostenbrink, Ch;
Event: Mini Symposium VU University Amsterdam 2015
Year: 2015 - Course on Applied Statistical Thermodynamics
Autoren: Oostenbrink, Ch;
Event: Applied Statistical Thermodynamics 2015 - Workshop in Life Sciences Foundation
Year: 2015 - Simulations of weird, but defined, and common, but undefined, molecules
Autoren: Oostenbrink, Ch;
Event: Kings Collage
Year: 2015 - BIOMOLECULAR SIMULATIONS OF CYTOCHROME P450 ENZYMES
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
Year: 2015 - 1. Calculation of Binding Free Energy, 2. Prediction of Metabolism
Autoren: Oostenbrink, Ch;
Event: Workshop University of Copenhagen
Year: 2015 - Protein-ligand binding from distancefield distances and Hamiltonian replica exchange simulations
Autoren: Oostenbrink, Ch;
Event: Cecam Workshop
Year: 2014 - Binding free-energy calculations involving a net charge change
Autoren: Oostenbrink, C;
Event: Workshop on Free Energy Methods in Drug Design
Year: 2014 - Binding free energy, enthalpy and entropy – from a toy system to the real thing
Autoren: Oostenbrink, C;
Event: CeCAM Workshop on Biomolecular Entropy
Year: 2014 - Structure-dynamics-function relationships in pyranose dehydroganse
Autoren: Graf, M., Bren, U., Sucharitakul, J., Chaiyen, P., Oostenbrink, C., Haltrich, D.
Event: 18th International Symposium on Flavins and Flavoproteins 2014
Year: 2014 - Characterization of UDP-Sulfoquinovose Synthase from Sulfolobus acidocaldarius
Autoren: Messner, P; Gasselhuber, B; Windwarder, M; Zayni, S; Hofinger, A; Oostenbrink, C; Obinger, C; Kosma, P; Schäffer, C; Zolghadr, B
Event: FASEB Science Research Conference on Microbial Glycobiology
Year: 2014 - Calculation of free energies from molecular simulation
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Year: 2014 - Structure refinement using molecular dynamics simulations (NMR observables)
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Year: 2014 - Calculation of free energy
Autoren: Oostenbrink, C;
Event: Copenhagen University
Year: 2014 - Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Autoren: Oostenbrink, C;
Event: Konferenz Deajeong University
Year: 2014 - Molecular models and simulations of soil organic matter: structure, dynamics and interactions with other entities
Autoren: Oostenbrink, C;
Event: International Symposium on: Biogeochemical interfaces in soil – towards a comprehensive and mechanistic understanding of soil functions
Year: 2014 - Design of a novel type of enzymatic control in NColE7-based zinc finger nucleases
Autoren: Nemeth, E; Oostenbrink, C; Gyurcsik, B
Event: 12th European Biological Inorganic Chemistry Conference EuroBIC 2014
Year: 2014 - Understanding the inhibition mechanism of chlorite dismutase from the nitrite-oxidizing bacterium Candidatus Nitrospira defluvii
Autoren: Hofbauer, S; Gruber, C; Schaffner, I; Pirker, KF; Jakopitsch, C; Sundermann, A; Oostenbrink, C; Furtmuller, PG; Obinger, C
Event: 12th European Biological Inorganic Chemistry Conference EuroBIC 2014
Year: 2014 - Mechanism of inhibition of chlorite dismutase
Autoren: Hofbauer, S., Schaffner, I., Gruber, C., Pirker, K.F., Jakopitsch, C., Sündermann, A., Oostenbrink, C., Furtmüller, P.G., Obinger, C.
Event: OxiZymes 2014
Year: 2014 - Pyranose degydrogenase active-site mutants: simulation vs. experiment
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
Year: 2014 - Biomolecular simulations of Cytochromes P450
Autoren: Oostenbrink, C;
Event: 19th North American meeting of the International Society for the Study of Xenbiotics
Year: 2014 - Molecular simulation techniques for complex biomolecular systems
Autoren: Oostenbrink, C;
Event: Annual meeting of Biophysics Austria and of the Austrian Society for Molecular Biosciences and Biotechnology (ÖGBMT)
Year: 2014 - Free-energy calculations for ligand binding: pathways and promiscuity
Autoren: Oostenbrink, C;
Event: MGMS Meeting - Modeling Molecules and Materials
Year: 2014 - Binding free energy, enthalpy and entropy – from a toy system to the real thing
Autoren: Oostenbrink, C;
Event: Workshop Molecular Recognition
Year: 2014 - Ensembles and sampling, leading to molecular dynamics simulations
Autoren: Oostenbrink, C;
Event: 12th Greta Pifat-Mrzljak International School of Biophysics 2014
Year: 2014 - Active site residues in pyranose dehydrogenase: Biochemical, biophysical, and computational investigation
Autoren: Graf, M., Bren, U., Sucharitakul, J., Chaiyen, P., Oostenbrink, C., Haltrich, D.
Event: OxiZymes 2014
Year: 2014 - Molecular simulation techniques for complex soil systems
Autoren: Oostenbrink, C;
Event: 20th World Congress on Soil Science
Year: 2014 - Prediction of Metabolism
Autoren: Oostenbrink, C;
Event: Copenhagen University
Year: 2013 - Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
Event: Univ. Darmstadt, D
Year: 2013 - Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
Event: Univ. Basel, CH
Year: 2013 - Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
Event: “Thirty-seven years of biomolecular simulation”, Symposium ETH Zürich, CH
Year: 2013 - Structure refinement by using experimental restraints in molecular dynamics simulations
Autoren: Oostenbrink, C;
Event: Mini Symposium Bio Nano Imaging 2013
Year: 2013 - 1. Calculation of Binding Free Energy 2. Prediction of Metabolism
Autoren: Oostenbrink, C;
Event: Univ. Copenhagen, DK
Year: 2013 - Humic substances (HS) models – water and cations bridges
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
Year: 2013 - Biomolecular simulations on Cytochrome P450 enzymes
Autoren: Oostenbrink, C;
Event: Univ. Szeged, Ungarn
Year: 2013 - Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Autoren: Oostenbrink, C;
Event: Gedeon Richter, Budapest, Ungarn
Year: 2013 - Synthetic glycophospholipids targeting TLR4 mediated immune signaling
Autoren: Zamyatina, A.; Beyaert, R.; Kosma, P.; Hollaus, R.; Adanitsch, F.; Artner, D.; Ittig, S.; Jerala, R.; Oostenbrink, C.; Hofbauer, K.
Event: 17th European Carbohydrate Symposium 2013
Year: 2013 - Biomolecular simulations to rationalize and predict protein behaviour
Autoren: Oostenbrink, C;
Event: MolTag Seminar, University of Vienna 2013
Year: 2013 - Calculating free energies from molecular simulations: where sampling and scoring comes together
Autoren: Oostenbrink, C;
Event: European Bioinformatics Institute, Cambridge, UK
Year: 2013 - Sampling and scoring for binding free energy differences
Autoren: Oostenbrink, C;
Event: Workshop - New trends in Computational Chemistry for Industry Applications, Barcelona, Spanien
Year: 2012 - 1: Force-field development 2: Calculation of free energy 3: Structure refinement
Autoren: Oostenbrink, C;
Event: 10th NCCR Practical Course 2012 - Biomolecular Modeling
Year: 2012 - Biomolecular simulations to rationalize and predict protein behaviour
Autoren: Oostenbrink, C;
Event: Doktoratsseminar Universität Graz 2012
Year: 2012 - Structure and thermodynamics of (bio)molecular complexes from comput-er simulation
Autoren: Oostenbrink, C;
Event: 7th Vienna International Conference on Mathematical Modelling MATHMOD 2012
Year: 2012 - Redox theromdynamics of diverse chlorite dismutases
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
Year: 2012 - 1: Calculculation of Binding Free Energy 2: Prediction of Metabolism
Autoren: Oostenbrink, C;
Event: University of Copenhagen 2012
Year: 2012 - In silico ADME and predictive Toxicology: Metabolism
Autoren: Oostenbrink, C;
Event: SafeSciMET course University of Copenhagen 2012
Year: 2012 - Affiniteit en binding
Autoren: Oostenbrink, C;
Event: Alumni-day of Chemistry at VU University, Amsterdam 2012
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
Autoren: Oostenbrink, C;
Event: 11th Greta Pifat Mrzljak International School of Biophysics 2012
Year: 2012 - Pyranose Dehydrogenase - Investigating D-Glucose Binding by Means of Molecular Dynamics Simulation
Autoren: Graf, MM; Bren, U; Peterbauer, C; Oostenbrink, C; Haltrich, D
Event: Trends in Enzymology 2012
Year: 2012 - Tools enhancing biomolecular simulations - Cluster Installer & GPU Computation
Autoren: Sündermann, A;
Event: Vienna Scientific Cluster VSC User Workshop 2012
Year: 2012 - Structure and dynamics of Cytochromes P450 from molecular simulation
Autoren: Oostenbrink, C;
Event: MDO / ISSX Meeting 2012
Year: 2012 - Molecular Modeling and Simulation
Autoren: Oostenbrink, C;
Event: Workshop Nanostructured Materials for Biomedical Applications Vienna-Brno-Olomouc 2012
Year: 2011 - Free energy calculations from molecular simulations - where sampling and scoring comes together
Autoren: Oostenbrink, C.,
Event: Mini-Symposium zur Informatikgestützten Chemie 2011
Year: 2011 - Free energy calculations from molecular simulations.
Autoren: Oostenbrink, C.,
Event: Max F. Perutz Laboratories Wien 2011
Year: 2011 - Barriers in binding biomolecular free energy differences
Autoren: Oostenbrink, C.
Event: SimBioMa Conference 2011
Year: 2011 - Structure and flexibility of Cytochrome P40 enzymes from molecular simulation
Autoren: Oostenbrink, C.
Event: MipTec 2011
Year: 2011 - Computational chemistry and advanced physiochemical characterization
Autoren: Oostenbrink, C.
Event: DFG-SPP 1315 Workshop, TG 5, BOKU, Molecular simulation techniques for complex systems 2011
Year: 2011 - Prediction of metabolism
Autoren: Oostenbrink, C.,
Event: PhD Course University of Copenhagen 2011
Year: 2011 - "Biomolecular Simulation"
Autoren: Oostenbrink, C.
Event: Short Course and Workshop at Pancasila University 2011
Year: 2011 - Calculation of Binding Free Energy
Autoren: Oostenbrink, C.,
Event: PhD Course University of Copenhagen 2011
Year: 2011 - Free energy calculations from molecular simulations
Autoren: Oostenbrink, C.,
Event: Avexxin AS 2011
Year: 2011 - Insights into the binding mode of propafenone type P-glycoprotein inhibitors
Autoren: Klepsch, F; Vosmeer, CR; Geerke, DP; Oostenbrink, C; Ecker, GF
Event: 241st National Spring Meeting of the American Chemical Society ACS ACS 2011 - Chemistry of Natural Resources
Year: 2011 - Molecular modeling and simulation to explore the structure and dynamics of biomolecular complexes
Autoren: Oostenbrink, C.,
Event: Seminar The New Challenges of Natural Medicine Development 2011
Year: 2010 - Modeling and simulation to explore the structure and dynamics of biomolecular complexes.
Autoren: Chris, Oostenbrink
Event: Vienna Institute of Bio Technology 2010
Year: 2010 - "Free energy calculations from molecular simulation - where sampling and scoring comes together"
Autoren: Chris Oostenbrink, Dr.
Event: Conference Molecular Modeling of the Australasian molecular modeling association Melbourne 2010
Year: 2010 - The role of water molecules in docking studies of Cytochrome P450 2D6
Autoren: Chris, Oostenbrink
Event: 240th National Fall Meeting of the American Chemical Society ACS 2010
Year: 2010 - Free energy calculations for multiple conformations using enhanced sampling techniques.
Autoren: Chris, Oostenbrink
Event: Multiscale Molecular Modeling
Year: 2010 - Structure and (thermo)dynamics of biomolecular complexes from computer simulation.
Autoren: Chris, Oostenbrink
Event: Opening-Symposium BOKU/AIT 2010 - BioNanoSciences
Year: 2010 - Structure and (thermo)dynamics of biomolecular complexes from computer simulation
Autoren: Chris Oostenbrink, Dr.
Event: Seminar-University of Queensland
Year: 2009 - Binding thermodynamics from molecular simulation
Autoren: Chris Oostenbrink
Event: Seminar series 2009 - Computational Life Sciences