Molecular dynamics simulations and the generation of ad hoc chemical libraries are playing an increasingly important and recognized role in structure-based virtual screening. These approaches are important for treating target flexibility and improving the drug discovery pipeline. In this article I will comment on these two topics and put them into perspective.
Emerging Topics in Structure-Based Virtual Screening / Rastelli, Giulio. - In: PHARMACEUTICAL RESEARCH. - ISSN 0724-8741. - STAMPA. - 30:5(2013), pp. 1458-1463. [10.1007/s11095-013-1012-9]
Emerging Topics in Structure-Based Virtual Screening
RASTELLI, Giulio
2013
Abstract
Molecular dynamics simulations and the generation of ad hoc chemical libraries are playing an increasingly important and recognized role in structure-based virtual screening. These approaches are important for treating target flexibility and improving the drug discovery pipeline. In this article I will comment on these two topics and put them into perspective.
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