Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Displaying 1 - 18 of 18
CompuGene Student Lab Protein Engineering
The field of protein engineering is a rapidly evolving area of research that holds great promise for numerous ...
Engineering SciencesComputer Science
Learning by Building: Construction of Voltage-Dependent Ion Channels from Modular Components II
Voltage-dependent K+ channels are facilitators of a diverse set of physiological processes, including neuronal signaling ...
Life Sciences
Learning by Building: Construction of Voltage-Dependent Ion Channels From Modular Components
As facilitators of ionic currents across biological membranes, voltage-dependent K+ channels are involved in a broad ...
Life SciencesBasic Research in Biology and Medicine
MD-Simulations to Study the Effect of Electric Fields on the SARS-CoV-2 Postfusion Structure
The interaction between the Spike (S) glycoprotein and the ACE2 receptor on the host cell constitutes the pivotal ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics-
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
Protein stability in the complex solution environment of the living cell depends on several environmental factors ...
Natural SciencesPhysical and Theoretical Chemistry 
Insights Into Molecular Cluster Materials With Adamantane-Like Core Structure by Considering Dimer Interactions
A class of cluster materials with an adamantane-like core structure (AdR4 or [(RE)4T6]; R=organic structure; E=Si, Ge ...
Natural SciencesPhysical and Theoretical Chemistry
On the Protonation of Verdazyl Species in Aqueous Acidic Electrolytes
Verdazyl radicals are discussed as a possible candidate for application in organic redox flow batteries. These species ...
Natural SciencesPhysical and Theoretical Chemistry
Unraveling SARS-Cov-2 Spike Protein Conformational Dynamics Under the Influence of Electric Fields
The spike glycoprotein's interaction with the ACE2 receptor on the host cell is the crucial initial step for virus entry ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Modeling of Large Proteins in DNA Repair
DNA-PKcs is a gateway protein of the Non-Homologous End Joining DNA Repair Pathway. Which is the process of repairing ...
Natural SciencesEngineering SciencesComputer Science
Molecular Dynamics Study of the Sodium/Potassium Channels HCN
Ion channels play a fundamental key role in all living organisms and are crucial for the signal transduction of neurons ...
Life SciencesBasic Research in Biology and Medicine
A Cosolvent Surfactant Mechanism Affects Polymer Collapse in Miscible Good Solvents
The coil-globule transition of aqueous polymers is of profound significance in understanding the structure and function ...
Natural SciencesPhysical and Theoretical Chemistry
Molecular Dynamics Study of the Sodium/Potassium Channels HCN
Ion channels play a fundamental key role in all living organisms and are crucial for the signal transduction of neurons ...
Life SciencesBasic Research in Biology and Medicine
Cononsolvency in Aqueous Alcohols Solutions
Smart polymers respond to environmental factors such as change in temperature, pH, or solvent. An example is the ...
Natural SciencesPhysical and Theoretical Chemistry
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
The influence of osmolytes, like Trimethylamine-N-oxide (TMAO) and urea, on protein folding is well studied, yet the ...
Natural SciencesPhysical and Theoretical Chemistry
Metal/Organic Interfaces Studied with Density Functional Theory
Metal/organic interfaces are found in several technologies that are key to developing modern electronic devices ...
Natural SciencesChemical Solid State and Surface Research
Modeling of Sortase-Linker Interactions for the iGEM Competition
Sortase A7M is an enzyme, which catalyzes the linking reaction of the N-terminal and the Cterminal region of two ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics-
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry -
Multiscale Simulations Toward Predicting Temperature Dependent Properties of Magnetic Materials
Magnetic materials have been widely used in the modern society due to their intriguing functional properties. For ...
Engineering SciencesMaterials Science
