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Molecular Docking: Shifting Paradigms in Drug Discovery.
Pinzi L, Rastelli G. Pinzi L, et al. Among authors: rastelli g. Int J Mol Sci. 2019 Sep 4;20(18):4331. doi: 10.3390/ijms20184331. Int J Mol Sci. 2019. PMID: 31487867 Free PMC article. Review.
BEAR, a novel virtual screening methodology for drug discovery.
Degliesposti G, Portioli C, Parenti MD, Rastelli G. Degliesposti G, et al. Among authors: rastelli g. J Biomol Screen. 2011 Jan;16(1):129-33. doi: 10.1177/1087057110388276. Epub 2010 Nov 17. J Biomol Screen. 2011. PMID: 21084717 Free article.
Insights into the interaction of negative allosteric modulators with the metabotropic glutamate receptor 5: discovery and computational modeling of a new series of ligands with nanomolar affinity.
Anighoro A, Graziani D, Bettinelli I, Cilia A, De Toma C, Longhi M, Mangiarotti F, Menegon S, Pirona L, Poggesi E, Riva C, Rastelli G. Anighoro A, et al. Among authors: rastelli g. Bioorg Med Chem. 2015 Jul 1;23(13):3040-58. doi: 10.1016/j.bmc.2015.05.008. Epub 2015 May 12. Bioorg Med Chem. 2015. PMID: 26014480
Computational polypharmacology comes of age.
Rastelli G, Pinzi L. Rastelli G, et al. Front Pharmacol. 2015 Jul 28;6:157. doi: 10.3389/fphar.2015.00157. eCollection 2015. Front Pharmacol. 2015. PMID: 26283966 Free PMC article. No abstract available.
On the Integration of In Silico Drug Design Methods for Drug Repurposing.
March-Vila E, Pinzi L, Sturm N, Tinivella A, Engkvist O, Chen H, Rastelli G. March-Vila E, et al. Among authors: rastelli g. Front Pharmacol. 2017 May 23;8:298. doi: 10.3389/fphar.2017.00298. eCollection 2017. Front Pharmacol. 2017. PMID: 28588497 Free PMC article.
211 results