Dem IPB wird erneut ein beispielhaftes Handeln im Sinne einer chancengleichheitsorientierten Personal- und Organisationspolitik bescheinigt. Das Institut erhält zum 6. Mal in Folge das TOTAL E-QUALITY…
Die Plant Science Student Conference (PSSC) wird seit 20 Jahren im jährlichen Wechsel von Studierenden der beiden Leibniz-Institute IPK und IPB organisiert. Im Interview erläutern Christina Wäsch…
Successful results in the fields of genomic, proteomic, and metabolomic research pave the way to thousands of protein sequences, many of which may be new clinical targets. The experimental effort to test millions of compounds for a large number of yet invalidated targets is very expensive. In the last decades, virtual screening has become an attractive alternative to precede experimental screening procedures, and thereby to reduce costs considerably. Virtual screening procedures show an enormous potential to suggest new hits and eventually lead structures. The concepts and methods to achieve such predictions are briefly summarized in this chapter. In principle, there are two strategies: if a protein structure is available, protein structure-based virtual screening is possible; the other alternative is ligand-based virtual screening. In recent years, the number of methods developed and software packages available for these tasks has increased considerably. The methods range from unspecific filtering procedures to pharmacophore searches, docking, and scoring. The most relevant current challenges, the limitations, and further perspectives for virtual screening in medicinal chemistry are discussed.