Chris Oostenbrink

Presentations

• 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