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Theoretical investigations of proton transfer and interactions or reactions of covalent and non-covalent inhibitors in different proteins ; Theoretische Untersuchungen des Protontransfers und Interaktion oder Reaktion von kovalenten und nicht-kovalenten Inhibitoren in verschiedenen Proteinen
Free accessBASE | 2020|Keywords: molecular dynamics -
Molecular modeling of the complexation of proteins with strong anionic polyelectrolytes
Free accessBASE | 2018|Keywords: Molecular Dynamics, ; Molecular Dynamics -
Multiscale modelling of adsorption by MOFs - CO2-separation from flue gas and Olefin/Paraffin-separation as examples
Free accessBASE | 2020|Keywords: molecular dynamics -
Multiscale modelling of adsorption by MOFs - CO2-separation from flue gas and Olefin/Paraffin-separation as examples
Free accessBASE | 2020|Keywords: molecular dynamics -
The Influence of Solvent Reorganization on Organocatalytic Reactions
Free accessBASE | 2021|Keywords: molecular dynamics -
Ultrafast Photochemical Dynamics of Azobenzenes Affected by Intra- and Intermolecular Interactions and of a Proton Transfer Switch ; Ultraschnelle Photochemische Dynamik von Azobenzolen unter dem Einfluss Intra- und Intermolekularer Wechselwirkungen und von einem Protonentransfer-Schalter
Free accessBASE | 2014|Keywords: Molecular Dynamics -
Structure and Dynamics of Hydrous Silica(tes) as seen by Molecular Dynamics Computer Simulations and Neutron Scattering ; Struktur und Dynamik von wasserhaltigen Silika(ten) untersucht mit Molekulardynamikcomputersimulationen und Neutronenstreuung
Free accessBASE | 2007|Keywords: hydrous silicate melts;molecular dynamics computer simulations;neutron scattering -
Mechanical properties of Bombyx mori silkworm silk: viscoelasticity, structural and molecular origin
Free accessBASE | 2013|Keywords: molecular dynamics -
Molecular dynamics studies of the glycocalyx: carbohydrates in physiological water, and their interactions with FimH ; Molekulardynamische Untersuchungen der Glykocalyx:Kohlenhydrate in physiologischer wässriger Umgebung und Wechselwirkungen mit FimH
Free accessBASE | 2009|Keywords: Molecular Dynamics -
Molekülmechanische Untersuchungen zur Struktur, Funktion und Dynamik der Hepatitis C viralen RNA-abhängigen RNA-Polymerase
Free accessBASE | 2018|Keywords: molecular dynamics simulation -
Morphology Control of Copolymer Thin Films by Nanoparticles
Free accessBASE | 2014|Keywords: Molecular Dynamics Simulation -
Structure, dynamics and phase behavior of concentrated electrolytes for applications in energy storage devices
Free accessBASE | 2021|Keywords: Molecular dynamics simulation -
Fluid Density Approximation for an Implicit Solvent Model
Free accessBASE | 2007|Keywords: molecular dynamics -
Sorption von Fluiden in mesoporösen Silikamaterialien
Free accessBASE | 2010|Keywords: Molecular Dynamics -
Molekulardynamische Simulation smektischer chiraler Flüssigkristallphasen
Free accessBASE | 2003|Keywords: molecular dynamics simulation -
Laser pulse control of dissipative dynamics in molecular systems
Free accessBASE | 2002|Keywords: ultra-fast molecular dynamics, optimal control of dissipative molecular dynamics -
Thermophoresis in Liquids and its Connection to Equilibrium Quantities
Free accessBASE | 2020|Keywords: Molecular dynamics -
Simulation of Ion Migration with Particle Dynamics and the Heat-Poisson-Nernst-Planck System
Free accessBASE | 2016|Keywords: Molecular Dynamics -
Soft condensates in hard confinement : structure and molecular mobility
Free accessBASE | 2019|Keywords: molecular dynamics -
Identification of dynamic oxygen access channels in 12/15-lipoxygenase
Free accessBASE | 2008|Keywords: molecular dynamics
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