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Pharmacophore-Based Virtual Screening
Current Medicinal Chemistry, 2008Virtual screening (VS) is an important component of cheminformatics and molecular modeling. An abundance of structural information, indicated by both the ever-increasing availability of 3-dimensional (3D) protein structures and the readiness of free conformational databases of commercially available compounds, such as ZINC, supplies a broad platform ...
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Drug Design by Pharmacophore and Virtual Screening Approach
Pharmaceuticals, 2022Angelo Facchiano, Deborah Giordano
exaly
Pharmacophore modeling in drug design
A successful and expanded area of computational drug design is pharmacophore modeling. A pharmacophore is a description of the structural features of a compound that are essential to its biological activity. The rational design of new drugs has made extensive use of the pharmacophore concept.Yasmin, Momin, Vilas, Beloshe
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