Exploiting Water Dynamics for Pharmacophore Screening.
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DOI: 10.1007/978-1-0716-1209-5_13
Abstract: Three-dimensional pharmacophore models have been proven extremely valuable in exploring novel chemical space through virtual screening. However, traditional pharmacophore-based approaches need ligand information and rely on static snapshots of highly dynamic systems. In this chapter,… read more here.
Keywords: water dynamics; water; pharmacophore screening; dynamics pharmacophore ... See more keywords