Translation of "Molecular modeling" in German

During the eighties, molecular modeling became a promising application in the pharmaceutical industry.

At CeBIT 2009, BALLView was prominently presented as the first complete integration of real-time ray tracing technology into a molecular viewer and modeling tool.

Molecular Modeling applies principles of computational chemistry to the interaction between a drug and its target, generally a protein.

The information gained through X-ray crystallography feeds into molecular modeling, giving robust reference points for the prediction of drug-protein interactions.

In addition to usage issues, basic research is undertaken that extends to the area of molecular modeling and design.

Molecular modeling was employed to identify the most plausible nitration sites in the active conformation of TIMP-1.

The MOLCAD GmbH is a research and development organisation that is involved in the development of new methods in the fields of molecular graphics, molecular modeling, and molecular simulations.

With these words, the jury for the 2013 Nobel Prize in Chemistry praised the contributions of Martin Karplus, Michael Levitt and Arieh Warshel to the vital science of molecular modeling and simulation.

Using molecular modeling, researchers at Merck have designed a drug (presently known as MK677) that mimics the effect of GHRP-6.

They allow processing on flexible substrates and enable their interface orbital energies to be adjusted precisely to the particular application range by the methods of molecular modeling.

They allow processing on flexible substrates and enable their interface orbital energies to be adjusted precisely to the particular application sector by the methods of molecular modeling.

In case of resurfacing, by a combination of molecular modeling, statistic analyses, and mutagenesis, all non-CDR regions on the surface of the antibody are modified so that they are similar to the surface of antibodies of the target organism.

In resurfacing, all non-CDR regions on the surface of the antibody are changed by a combination of molecular modeling, statistical analyses and mutagenesis so that they resemble the surface of antibodies of the target organism.

One of this type preferably comprises sections or domains which in turn each occur in nature, such as, for example, the amino acid sequence of the ligand-binding section of a transmembrane receptor, of an enzyme-coupled receptor, of a G-protein-coupled receptor, of a 7-transmembrane receptor or of an odor receptor (or olfactorial receptor), but also that of a naturally occurring nuclear receptor, such as a steroid receptor, orphan receptor, vitamin receptor, for example vitamin D receptor, thyroxin receptor or retinoic acid receptor, or that of a naturally occurring viral receptor, in particular membrane receptor, or sequences derived therefrom by amino acid attachment, exchange, modification, insertion or deletion, but may also comprise, for example, sections generated by molecular modeling.

In addition, the ligand-binding section may comprise a non-naturally occurring, synthetic ligand-binding section, for example generated by molecular modeling, with in particular initially only suspected ligand-binding function.

Furthermore, there exists the possibility of detecting further candidates for herbicidal active ingredients by means of molecular modeling via elucidation of the three-dimensional structure of SSP by X-ray structure analysis.

In principle, optimization of the compounds identified by the abovementioned method is also possible via molecular modeling.

Such artificial DNA sequences can be determined, for example, by backtranslating proteins which have been constructed by means of molecular modeling and which exhibit dihydroorotase activity, or by in vitro selection.

Such artificial DNA sequences may be determined, for example, by back-translating proteins which have been produced by means of computer programs (molecular modeling) or by in-vitro selection.

Working in close collaboration with biology, molecular modeling and screening technologies, medicinal chemists design and synthetize new bioactive compounds, aiming at the optimal balance of biological activity and physico-chemical properties.

ISV certification ThinkStation and ThinkPad P Series are tested and certified by leading industry software vendors (ISVs) to run critical applications for high-end medical imaging, PACS, and life sciences research and development. Applications include Centricity, Computation Chemistry, Epic, DNA Sequencing, Flow Cytometry, Horizon, Medisoft, Molecular Modeling, and more.

Since CXCR4 is a promising drug target, the project will also combine comprehensive molecular modeling simulations and functional assays to generate optimized derivatives for cancer therapy.