Dual-Target Virtual Screening by Pharmacophore Elucidation and Molecular Shape Filtering
نویسندگان
چکیده
منابع مشابه
Combining docking with pharmacophore filtering for improved virtual screening
BACKGROUND Virtual screening is used to distinguish potential leads from inactive compounds in a database of chemical samples. One method for accomplishing this is by docking compounds into the structure of a receptor binding site in order to rank-order compounds by the quality of the interactions they form with the receptor. It is generally established that docking can be reasonably successful...
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ژورنال
عنوان ژورنال: ACS Medicinal Chemistry Letters
سال: 2012
ISSN: 1948-5875,1948-5875
DOI: 10.1021/ml200286e