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Inhaltsangabe
Virtual screening refers to a range of “in-silico” techniques used to search large compound databases to select a smaller number of compounds for biological testing. Promising compounds are then “docked” to the protein or to the enzyme’s active site. Docking search algorithms generate “poses” (conformation, position and orientation) of the ligand within the active site, while scoring functions identify the most likely pose for an individual ligand and assign a priority order to a set of diverse ligands docked to the same protein, by estimate binding affinity. The aim of this book is to acquaint the reader with the possibilities of screening and docking of different ligands (drugs and pesticides) on the surface of different enzymes.
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Reseña del editor
Virtual screening refers to a range of "in-silico" techniques used to search large compound databases to select a smaller number of compounds for biological testing. Promising compounds are then "docked" to the protein or to the enzyme's active site. Docking search algorithms generate "poses" (conformation, position and orientation) of the ligand within the active site, while scoring functions identify the most likely pose for an individual ligand and assign a priority order to a set of diverse ligands docked to the same protein, by estimate binding affinity. The aim of this book is to acquaint the reader with the possibilities of screening and docking of different ligands (drugs and pesticides) on the surface of different enzymes.
Biografía del autor
Dr. Ferencz László is associate professor at Sapientia - Hungarian University of Transylvania, Faculty of Technical and Human Sciences, Târgu Mureș. Mrs. Daniela-Lucia Muntean is professor and PhD doctor at the University of Medicine and Pharmacy from Târgu Mureș, Faculty of Pharmacy.
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Virtual Screening and Docking Active Ingredients
Verlag:
LAP LAMBERT Academic Publishing, 2015
ISBN 10: 365978043X
ISBN 13: 9783659780431
Neu
Softcover
Anbieter: moluna, Greven, Deutschland
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Zustand: New. Artikel-Nr. 158429401
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Foto des Verkäufers
Virtual Screening and Docking Active Ingredients
Verlag:
LAP LAMBERT Academic Publishing Sep 2015, 2015
ISBN 10: 365978043X
ISBN 13: 9783659780431
Neu
Taschenbuch
Anbieter: buchversandmimpf2000, Emtmannsberg, BAYE, Deutschland
Verkäuferbewertung 5 von 5 Sternen
Taschenbuch. Zustand: Neu. Neuware -Virtual screening refers to a range of ¿in-silicö techniques used to search large compound databases to select a smaller number of compounds for biological testing. Promising compounds are then ¿docked¿ to the protein or to the enzyme¿s active site. Docking search algorithms generate ¿poses¿ (conformation, position and orientation) of the ligand within the active site, while scoring functions identify the most likely pose for an individual ligand and assign a priority order to a set of diverse ligands docked to the same protein, by estimate binding affinity. The aim of this book is to acquaint the reader with the possibilities of screening and docking of different ligands (drugs and pesticides) on the surface of different enzymes.Books on Demand GmbH, Überseering 33, 22297 Hamburg 72 pp. Englisch. Artikel-Nr. 9783659780431
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