Chris Oostenbrink
Univ.Prof. Dr. Chris Oostenbrink
Institut Büro des Departments für Materialwissenschaften und Prozesstechnik
Institut Institut für Molekulare Modellierung und Simulation (MMS)
Standort 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
Laufbahn
- 2009 Professor für Biomolecular Modeling and Simulation
- 2004 - 2009 Universitätsdozent für Computational Medicinal Chemistry and Toxicology, VU University, Amsterdam
- 2000 - 2004 Dr. Nat.Sci. in Physikalische Chemie, Eidgenössische Technische Hochschule (ETH), Zürich
- 1995 - 2000 Msc in Chemistry, VU University, Amsterdam
- 1995 - 2000 MSc in Pharmaceutical Sciences, VU University Amsterdam
Auszeichnungen
- 2010 Starting Grant of the European Research Council
Projekte
Es wurden 0 Projekte gefunden.
Publikationen
Wissentransfer in die Gesellschaft
Medienbeiträge
Vorträge
(2023) Molecular dynamics simulations as a tool in protein engineering
Autoren: Oostenbrink, Ch;
FEBS Advanced Course on Computational Approaches to Understanding and Engineering Enzyme Catalysis
(2023) Predicting free-energy differences from accelerated envelopingdistribution sampling
Autoren: Oostenbrink, Ch;
Seminar- Instituto de Biosistemas e Ciências Integrativas
(2023) Applications of free-energy calculations from molecular dynamicssimulations
Autoren: Oostenbrink, Ch;
EUROPIN Summerschool
(2023) Predicting free-energy differences from accelerated enveloping distribution sampling
Autoren: Oostenbrink, Ch;
Seminar Max F. Perutz Laboratories
(2023) A buffered scheme for polarizableQM/MM simulations with machine-learning
Autoren: Oostenbrink, Ch;
SIMPLAIX Workshop on "Machine Learning for Multiscale MolecularModeling",
(2022) Hot, Hotter, BuRNN: A new scheme for polarizable QM/MMsimulations with machine-learning
Autoren: Oostenbrink, Ch;
ISQBP Meeting
(2022) Molecular Modeling and Simulation
Autoren: Oostenbrink, Ch;
Central European Institute of Technology
(2022) Molecular scale view at organo–mineral aggregates
Autoren: Galicia–Andrés, E; Oostenbrink, C; Gerzabek, MH; Tunega, D
22nd World Congress of Soil Sciences 2022
(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.
Jahrestagung der Deutschen Bodenkundlichen Gesellschaft DBG 2022
(2021) Intermolecular Interactions between Soil Organic Matter and Clay Minerals
Autoren: Galicia-Andrés, E; Escalona, Y; Petrov, D; Oostenbrink, C; Tunega, D; Gerzabek, MH
EUROSOIL 2021
(2021) Free energies from molecular simulations: force fields and molecular interactions
Autoren: Oostenbrink, Ch;
5th International Symposium on Bioinformatics
(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
34th International Symposium on Preparative and Process Chromatography, e-PREP 2021
(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
European Geosciences Union EGU General Assembly 2021
(2020) GROMOS - programming
Autoren: Oostenbrink, Ch;
GROMOS programming Workshop
(2020) Molecular Models of Soil Organic Matter - Simulation meets Experiment
Autoren: Oostenbrink, Ch;
Institute Seminar at the Institute of Soil, Water and Environmental Sciences, Agricultural Research Organization
(2020) In silico models of Spike-Ace2 interactions
Autoren: Oostenbrink, Ch;
Meeting - "Structural Biology meets Clinic"
(2020) Computermodelle von Spike-ACE2-Wechselwirkungen zur Entwicklung von therapeutischen Proteinen
Autoren: Oostenbrink, Ch;
WWTF Vortragsreihe "Wien erforscht Corona"
(2019) Computational alchemy to study interactions of food components, drugs and enzymes
Autoren: Oostenbrink, Ch;
Institute of Food, Nutrition and Health, ETH Zürich
(2019) Interaction between CDH and LPMO
Autoren: Breslmayr, E; Laurent, C; Scrutton, N; Oostenbrink, C; Ludwig, R; Kracher, D
Gordon Research Conference "Carbohydrate-Active Enzymes for Glycan Conversions"
(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
63rd Annual Meeting of the Biophysical-Society 2019
(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
14th International Symposium on Biocatalysis and Biotransformation BioTrans 2019
(2019) Applications of free-energy calculations from molecular dynamics simulations
Autoren: Oostenbrink, Ch;
Europin summerschool on drug design
(2019) Molecular dynamics simulations of soil condensed phases
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
8th International Symposium on Interactions of Soil Minerals with Organic Components and Microorganisms
(2019) Simulation of Reversible Protein -Protein Binding at an Atomistic Scale
Autoren: Perthold, JW; Ohlknecht, C; Petrov, D; Oostenbrink, C
Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP)
(2019) Applications and advances in the one-step perturbation approach
Autoren: Oostenbrink, Ch;
Alchemical Free Energy Workshop, Univ. Göttingen
(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;
Glyco 25 XXV International Symposium on Glycoconjugates
(2019) Molecular dynamics simulations of soil organic matter
Autoren: Oostenbrink, Ch;
Annual Meeting of the Soil Science Society of Switzerland and the German Soil Science Society 2019
(2018) Binding molecules with free-energy calculations
Autoren: Oostenbrink, Ch;
Meeting of the Netherlands Society for Biomolecular Modeling
(2018) A fast and sensitive activity assay for lytic polysaccharide monooxygenase
Autoren: Breslmayr, E., Oostenbrink, C., Ludwig, R.
OxiZymes 2018
(2018) Use of molecular dynamics in drug discovery
Autoren: Oostenbrink, Ch;
Boehringer Ingelheim
(2018) Binding free energy calculations for allosteric modulators
Autoren: Oostenbrink, Ch;
CECAM workshop 'Compallo'
(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
21st World Congress of Soil Science WCSS 2018
(2018) A fast and sensitive LPMO activity assay
Autoren: Breslmayr, E; Hanzek, M; Oostenbrink, C; Ludwig, Roland;
2nd Symposium on the Chemistry, Biology and Application of Lytic Polysaccharide Monooxygenases
(2018) Insights into the modeling of cello-oligosaccharides and lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C;
22nd Austrian Carbohydrate Workshop 2018
(2018) Modeling and simulations of post-translational modifications and glycosylated proteins
Autoren: Oostenbrink, Ch;
Conference 'Two days of proteostasis'
(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
21st World Congress of Soil Science WCSS 2018
(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
Antibody Engineering & Therapeutics 2018
(2018) Influence of force field, environmental changes and post-translational modifications on protein structure and stability
Autoren: Oostenbrink, Ch;
CECAM workshop 2018 - Proteins in realistic environments
(2017) 1. Calculation of binding free energy 2. Prediction of Metabolism
Autoren: Oostenbrink, Ch;
Universität of Kopenhagen
(2017) Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Pechlaner, M; Mayrhofer, P; Oostenbrink, C; Kunert, R
25th ESACT Meeting 2017
(2017) Reversible guest-host interactions from extensive simulations
Autoren: Oostenbrink, Ch;
CeCAM Workshop Challenges across Large-Scale Biomolecular and Polymer Simulations
(2017) Affinity of protein-ligand and protein-protein interactions from molecular simulations
Autoren: Oostenbrink, Ch;
VU University Amsterdam
(2017) Robust free-energy calculations from a small number of simulations
Autoren: Oostenbrink, Ch;
Bioexcel/Compbiomed Free Energy Workshop
(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.
Jahrestagung der Deutschen Bodenkundlichen Gesellschaft 2017
(2017) Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
9th International Conference on Recombinant Protein Production RPP9 2017
(2017) Lytic Polysaccharide Monooxygenase Assay
Autoren: Breslmayr, E; Oostenbrink, C; Ludwig, R
Gordon Research Conference 2017 - Cellulases and Other Carbohydrate-Active Enzymes
(2017) Enhanced sampling tricks for free energies in drug design and metabolism
Autoren: Oostenbrink, Ch;
CeCAM Workshop Beyond Kd's
(2017) Rational antibody humanization assisted by molecular dynamics simulations
Autoren: Schwaigerlehner, L; Mayrhofer, P; Pechlaner, M; Oostenbrink, C; Kunert, R
25th ESACT Meeting 2017
(2017) Applied Statistical Thermodynamics 2017: from theory to molecular dynamics simulations
Autoren: Oostenbrink, Ch;
Fundacion de Sciencia y Vida, Santiago de Chile
(2017) Active site investigation of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
27th International BIOMOS Symposium on Biomolecular Simulation 2017
(2017) Importance of Copper Charge on the Substrate Specificity of Lytic Polysaccharide Monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
Carbohydrate Bioengineering Meeting 2017
(2017) Applications of free-energy calculations from molecular dynamics simulations
Autoren: Oostenbrink, Ch.;
Drug Design Summerschool, University of Vienna, Vienna, Austria
(2016) Characterization and Expression of PQQ-dependent Quinohemoprotein Pyranose Dehydrogenases
Autoren: Schütz, G; Schmidt, D; Laurent, C; Obinger, C; Oostenbrink, C; Haltrich, D
OxiZymes 2016
(2016) Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
1st LPMO Symposium
(2016) Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
26th Intl. BIOMOS Symposium
(2016) Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
CA' Foscari University of Venice
(2016) Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
GÖCh Seminar
(2016) Approximating robust free-energy methods using a small number of simulations
Autoren: Oostenbrink, Ch;
Vertex Free-Energy Workshop, Boston, USA
(2016) Ensembles and sampling, leading to molecular dynamics simulations
Autoren: Oostenbrink, Ch;
13th Greta Pifat Mrzljak International School of Biophysics 2016
(2016) Free-energy calculations for ligand binding: pathways and promiscuity
Autoren: Oostenbrink, Ch;
6th Visegrad Symposium on Structural Systems Biology
(2016) Computational investigation of substrate specificity of lytic polysaccharide monooxygenase
Autoren: Breslmayr, E; Ludwig, R; Oostenbrink, C
8th ÖGMBT Annual Meeting 2016
(2016) Calculation of free energys from molecular simulation
Autoren: Oostenbrink, Ch;
13th Greta Pifat Mrzljak International School of Biophysics 2016
(2016) Alchemical changes from molecular dynamics simulation
Autoren: Oostenbrink, Ch;
Cecam Workshop - Exploring Chemical Space with Machine Learning and Quantum Mechanics
(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.
79th Harden Conference on Oxygen Evolution and Reduction
(2015) Sampling to score in molecular simulations
Autoren: Oostenbrink, Ch;
15th International Conference on BioInformatics and BioEngineering- BIBE 2015
(2015) Molecular models and simulations of complex systems: structure, dynamics and interactions
Autoren: Oostenbrink, Ch;
TNO Research
(2015) Biomolecular simulations of Cytochrome P450 enzymes ... and some other proteins
Autoren: Oostenbrink, Ch;
Mini Symposium VU University Amsterdam 2015
(2015) Course on Applied Statistical Thermodynamics
Autoren: Oostenbrink, Ch;
Applied Statistical Thermodynamics 2015 - Workshop in Life Sciences Foundation
(2015) Simulations of weird, but defined, and common, but undefined, molecules
Autoren: Oostenbrink, Ch;
Kings Collage
(2015) BIOMOLECULAR SIMULATIONS OF CYTOCHROME P450 ENZYMES
Autoren: Oostenbrink, C
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
(2015) 1. Calculation of Binding Free Energy, 2. Prediction of Metabolism
Autoren: Oostenbrink, Ch;
Workshop University of Copenhagen
(2015) Protein-ligand binding from distancefield distances and Hamiltonian replica exchange simulations
Autoren: Oostenbrink, Ch;
Cecam Workshop
(2014) Binding free-energy calculations involving a net charge change
Autoren: Oostenbrink, C;
Workshop on Free Energy Methods in Drug Design
(2014) Binding free energy, enthalpy and entropy – from a toy system to the real thing
Autoren: Oostenbrink, C;
CeCAM Workshop on Biomolecular Entropy
(2014) Structure-dynamics-function relationships in pyranose dehydroganse
Autoren: Graf, M., Bren, U., Sucharitakul, J., Chaiyen, P., Oostenbrink, C., Haltrich, D.
18th International Symposium on Flavins and Flavoproteins 2014
(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
FASEB Science Research Conference on Microbial Glycobiology
(2014) Calculation of free energies from molecular simulation
Autoren: Oostenbrink, C;
12th Greta Pifat-Mrzljak International School of Biophysics 2014
(2014) Structure refinement using molecular dynamics simulations (NMR observables)
Autoren: Oostenbrink, C;
12th Greta Pifat-Mrzljak International School of Biophysics 2014
(2014) Calculation of free energy
Autoren: Oostenbrink, C;
Copenhagen University
(2014) Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Autoren: Oostenbrink, C;
Konferenz Deajeong University
(2014) Molecular models and simulations of soil organic matter: structure, dynamics and interactions with other entities
Autoren: Oostenbrink, C;
International Symposium on: Biogeochemical interfaces in soil – towards a comprehensive and mechanistic understanding of soil functions
(2014) Design of a novel type of enzymatic control in NColE7-based zinc finger nucleases
Autoren: Nemeth, E; Oostenbrink, C; Gyurcsik, B
12th European Biological Inorganic Chemistry Conference EuroBIC 2014
(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
12th European Biological Inorganic Chemistry Conference EuroBIC 2014
(2014) Pyranose degydrogenase active-site mutants: simulation vs. experiment
Autoren: Graf, M.M.H.; Bren, U.; Sucharitakul, J.; Chaiyen, P.; Oostenbrink, C.; Haltrich, D.
6th ÖGMBT Annual Meeting 2014 - Life Sciences meet Entrepreneurship
(2014) Biomolecular simulations of Cytochromes P450
Autoren: Oostenbrink, C;
19th North American meeting of the International Society for the Study of Xenbiotics
(2014) Molecular simulation techniques for complex biomolecular systems
Autoren: Oostenbrink, C;
Annual meeting of Biophysics Austria and of the Austrian Society for Molecular Biosciences and Biotechnology (ÖGBMT)
(2014) Free-energy calculations for ligand binding: pathways and promiscuity
Autoren: Oostenbrink, C;
MGMS Meeting - Modeling Molecules and Materials
(2014) Binding free energy, enthalpy and entropy – from a toy system to the real thing
Autoren: Oostenbrink, C;
Workshop Molecular Recognition
(2014) Ensembles and sampling, leading to molecular dynamics simulations
Autoren: Oostenbrink, C;
12th Greta Pifat-Mrzljak International School of Biophysics 2014
(2014) Molecular simulation techniques for complex soil systems
Autoren: Oostenbrink, C;
20th World Congress on Soil Science
(2014) Prediction of Metabolism
Autoren: Oostenbrink, C;
Copenhagen University
(2013) Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
Univ. Darmstadt, D
(2013) Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
Univ. Basel, CH
(2013) Sampling to score in molecular simulations
Autoren: Oostenbrink, C;
“Thirty-seven years of biomolecular simulation”, Symposium ETH Zürich, CH
(2013) Structure refinement by using experimental restraints in molecular dynamics simulations
Autoren: Oostenbrink, C;
Mini Symposium Bio Nano Imaging 2013
(2013) 1. Calculation of Binding Free Energy 2. Prediction of Metabolism
Autoren: Oostenbrink, C;
Univ. Copenhagen, DK
(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.
IUSS-Global Soil Carbon Conference
(2013) Biomolecular simulations on Cytochrome P450 enzymes
Autoren: Oostenbrink, C;
Univ. Szeged, Ungarn
(2013) Structure and Dynamics of Cytochromes P450 from Molecular Simulation
Autoren: Oostenbrink, C;
Gedeon Richter, Budapest, Ungarn
(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.
17th European Carbohydrate Symposium 2013
(2013) Biomolecular simulations to rationalize and predict protein behaviour
Autoren: Oostenbrink, C;
MolTag Seminar, University of Vienna 2013
(2013) Calculating free energies from molecular simulations: where sampling and scoring comes together
Autoren: Oostenbrink, C;
European Bioinformatics Institute, Cambridge, UK
(2013) Sampling and scoring for binding free energy differences
Autoren: Oostenbrink, C;
Workshop - New trends in Computational Chemistry for Industry Applications, Barcelona, Spanien
(2012) 1: Force-field development 2: Calculation of free energy 3: Structure refinement
Autoren: Oostenbrink, C;
10th NCCR Practical Course 2012 - Biomolecular Modeling
(2012) Biomolecular simulations to rationalize and predict protein behaviour
Autoren: Oostenbrink, C;
Doktoratsseminar Universität Graz 2012
(2012) Structure and thermodynamics of (bio)molecular complexes from comput-er simulation
Autoren: Oostenbrink, C;
7th Vienna International Conference on Mathematical Modelling MATHMOD 2012
(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.
OxiZymes 2012
(2012) 1: Calculculation of Binding Free Energy 2: Prediction of Metabolism
Autoren: Oostenbrink, C;
University of Copenhagen 2012
(2012) In silico ADME and predictive Toxicology: Metabolism
Autoren: Oostenbrink, C;
SafeSciMET course University of Copenhagen 2012
(2012) Affiniteit en binding
Autoren: Oostenbrink, C;
Alumni-day of Chemistry at VU University, Amsterdam 2012
(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;
11th Greta Pifat Mrzljak International School of Biophysics 2012
(2012) Pyranose Dehydrogenase - Investigating D-Glucose Binding by Means of Molecular Dynamics Simulation
Autoren: Graf, MM; Bren, U; Peterbauer, C; Oostenbrink, C; Haltrich, D
Trends in Enzymology 2012
(2012) Tools enhancing biomolecular simulations - Cluster Installer & GPU Computation
Autoren: Sündermann, A;
Vienna Scientific Cluster VSC User Workshop 2012
(2012) Structure and dynamics of Cytochromes P450 from molecular simulation
Autoren: Oostenbrink, C;
MDO / ISSX Meeting 2012
(2012) Molecular Modeling and Simulation
Autoren: Oostenbrink, C;
Workshop Nanostructured Materials for Biomedical Applications Vienna-Brno-Olomouc 2012
(2011) Free energy calculations from molecular simulations - where sampling and scoring comes together
Autoren: Oostenbrink, C.,
Mini-Symposium zur Informatikgestützten Chemie 2011
(2011) Free energy calculations from molecular simulations.
Autoren: Oostenbrink, C.,
Max F. Perutz Laboratories Wien 2011
(2011) Barriers in binding biomolecular free energy differences
Autoren: Oostenbrink, C.
SimBioMa Conference 2011
(2011) Structure and flexibility of Cytochrome P40 enzymes from molecular simulation
Autoren: Oostenbrink, C.
MipTec 2011
(2011) Computational chemistry and advanced physiochemical characterization
Autoren: Oostenbrink, C.
DFG-SPP 1315 Workshop, TG 5, BOKU, Molecular simulation techniques for complex systems 2011
(2011) Prediction of metabolism
Autoren: Oostenbrink, C.,
PhD Course University of Copenhagen 2011
(2011) "Biomolecular Simulation"
Autoren: Oostenbrink, C.
Short Course and Workshop at Pancasila University 2011
(2011) Calculation of Binding Free Energy
Autoren: Oostenbrink, C.,
PhD Course University of Copenhagen 2011
(2011) Free energy calculations from molecular simulations
Autoren: Oostenbrink, C.,
Avexxin AS 2011
(2011) Insights into the binding mode of propafenone type P-glycoprotein inhibitors
Autoren: Klepsch, F; Vosmeer, CR; Geerke, DP; Oostenbrink, C; Ecker, GF
241st National Spring Meeting of the American Chemical Society ACS ACS 2011 - Chemistry of Natural Resources
(2011) Molecular modeling and simulation to explore the structure and dynamics of biomolecular complexes
Autoren: Oostenbrink, C.,
Seminar The New Challenges of Natural Medicine Development 2011
(2010) Modeling and simulation to explore the structure and dynamics of biomolecular complexes.
Autoren: Chris, Oostenbrink
Vienna Institute of Bio Technology 2010
(2010) "Free energy calculations from molecular simulation - where sampling and scoring comes together"
Autoren: Chris Oostenbrink, Dr.
Conference Molecular Modeling of the Australasian molecular modeling association Melbourne 2010
(2010) The role of water molecules in docking studies of Cytochrome P450 2D6
Autoren: Chris, Oostenbrink
240th National Fall Meeting of the American Chemical Society ACS 2010
(2010) Free energy calculations for multiple conformations using enhanced sampling techniques.
Autoren: Chris, Oostenbrink
Multiscale Molecular Modeling
(2010) Structure and (thermo)dynamics of biomolecular complexes from computer simulation.
Autoren: Chris, Oostenbrink
Opening-Symposium BOKU/AIT 2010 - BioNanoSciences
(2010) Structure and (thermo)dynamics of biomolecular complexes from computer simulation
Autoren: Chris Oostenbrink, Dr.
Seminar-University of Queensland
(2009) Binding thermodynamics from molecular simulation
Autoren: Chris Oostenbrink
Seminar series 2009 - Computational Life Sciences
Active site residues in pyranose dehydrogenase: Biochemical, biophysical, and computational investigation
Autoren: Graf, M., Bren, U., Sucharitakul, J., Chaiyen, P., Oostenbrink, C., Haltrich, D.
Prediction of Metabolism.
Autoren: Chris, Oostenbrink
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.
Characterization of soil microaggregates at the microscopic level using molecular dynamics
Autoren: Galicia-Andrés, E; Tunega, D; Gerzabek, MH; Oostenbrink, C
Transient gene expression for evaluation of antibody humanization by molecular dynamics simulation
Autoren: Mayrhofer, P; Mader, A; Margreitter, C; Oostenbrink, C; Kunert, R
Domain interactions investigated by SAXS
Autoren: Motycka, B; Csarman, F; Nagy, G; Tscheließnig, R; Oostenbrink, C; Hammel, M; Ludwig, R
Understanding of adsorption and degradation of halogenated hydrocarbons at mineral surfaces
Autoren: de Azevedo Barbosa, A.C.; Tunega, D.; Gerzabek, M.H.; Oostenbrink, C.