"screening" nach Englisch mit Beispielen - Kollokationen-Wörterbuch Englisch
- Critical assessment of the automated AutoDock as a new docking tool for virtual screening.
- The possibility of working in virtual reality environments provides benefits and cost reductions, since it allows virtual screening in an interactive and intuitive way.
- Some complementary research including biology-oriented chemical synthesis of screening compounds and virtual screening may also be conducted to improve the screening success likelihood.
- Related to the more general and long pursued concept of database searching, the term "virtual screening" is relatively new.
- Walters, et al. define virtual screening as "automatically evaluating very large libraries of compounds" using computer programs.
- The aim of virtual screening is to identify molecules of novel chemical structure that bind to the macromolecular target of interest.
- ZINC - a free database of commercially-available compounds for virtual screening.
- Brutus - a similarity analysis tool for ligand-based virtual screening.
- The program, which can also be set to run continually, uses "virtual screening" to find possible interactions between molecules and target proteins, i.e. a drug.
- Furthermore pharmacophore models can be used to identify through denovo design or virtual screening novel ligands that will bind to the same receptor.
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