Publikationen der MSD-Gruppe
Zeitschriftenartikel (4)
2016
Zeitschriftenartikel
7 (2), S. 185 - 195 (2016)
Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques. ACS Chemical Neuroscience
Zeitschriftenartikel
102, S. 229 - 237 (2016)
Resolution of Structural Isomers of Complex Reaction Mixtures in Homogeneous Catalysis. Chemical Engineering and Processing
Zeitschriftenartikel
2016 (52), S. 8309 - 8312 (2016)
Diversity in a simple co-crystal: racemic and kryptoracemic behaviour. Chemical Communications
Zeitschriftenartikel
12 (1), e1004704 (2016)
The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium Channel. PLoS Computational Biology Buchkapitel (1)
2016
Buchkapitel
Environment Effects on Spin States, Properties and Dynamics from Multi-Level QM/MM Studies. In: Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, S. 327 - 368 (Hg. Swart, M.; Costas, M.). Wiley-VCH, Chichester, West Sussex (2016)
Konferenzbeitrag (1)
2016
Konferenzbeitrag
Reduced Basis Method for Poisson-Boltzmann Equation. In: Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering: Volume II, S. 4187 - 4195 (Hg. Papadrakakis, M.; Papadopoulos, V.; Stefanou, G.; Plevris, V.). VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, 05. Juni 2016 - 10. Juni 2016. National Technical University of Athens (NTUA), Athens, Greece (2016)
Vortrag (4)
2016
Vortrag
Reduced Basis Method for Poisson-Boltzmann Equation. VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece (2016)
Vortrag
Reduced Basis Method for Poisson-Boltzmann Equation. Reduced Basis Summer School 2016, Hedersleben, Germany (2016)
Vortrag
High-Pressure Hydroformylation Reaction Equilibria. 2016 AIChE Annual Meeting, San Francisco, USA (2016)
Vortrag
Sustainable hydrogen production / Bioinspired versus biomimetic hydrogen converting systems: synthesis and characterization by experiment and theory. 3rd Indo-German Workshop on Advances in Materials, Reaction and Separation Processes, Madras, India (2016)
Poster (3)
2016
Poster
Rate and routes of electron transfer in an enzymatic fuel cell. Bunsentagung 2016 - 115th General Assembly of the German Bunsen Society for Physical Chemistry, Rostock, Germany (angenommen)
Poster
Binding kinetics of glycoproteins to their receptors by multi-scale molecular simulations. 21st EuroQSAR: European Symposium on Quantitative Structure-Activity Relationship, Verona, Italy (2016)
Poster
Prediction of binding kinectics of human erythropoetin and its receptor with a two-scale molecular simulation approach. Modeling and Design of Molecular Materials 2016, Trzebnica, Poland (2016)
Hochschulschrift - Doktorarbeit (1)
2016
Hochschulschrift - Doktorarbeit
The Structural Dynamics of Soluble and Membrane Proteins Explored through Molecular Simulations. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2016)
Hochschulschrift - Master (3)
2016
Hochschulschrift - Master
DFT Study of Rhodium Catalyzed Hydroformylation of 1-dodecene. Master, Otto-von-Guericke-Universität, Magdeburg (2016)
Hochschulschrift - Master
Three Dimensional Analysis of the Kinetic parameters of Mandelate racemases. Master, Otto-von-Guericke-Universität, Magdeburg (2016)
Hochschulschrift - Master
Mechanistic and kinetic investigation of hydroformylation of long chain olefins using quantum chemical methods. Master, Otto-von-Guericke-Universität, Magdeburg (2016)