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Bioorganic & Medicinal Chemistry|June 10, 2004
GRIND/ALMOND investigations on CysLT1 receptor antagonists of the quinolinyl(bridged)aryl typePaolo Benedetti, Raimund Mannhold, Gabriele Cruciani, et al.Journal of Chemical Information and Modeling|May 23, 2013
Modeling phospholipidosis induction: reliability and warningsLaura Goracci, Martina Ceccarelli, Daniela Bonelli, et al.Journal of Medicinal Chemistry|April 5, 2002
GBR compounds and mepyramines as cocaine abuse therapeutics: chemometric studies on selectivity using grid independent descriptors (GRIND)Paolo Benedetti, Raimund Mannhold, Gabriele Cruciani, et al.European Journal of Medicinal Chemistry|June 20, 2016
Metabolism study and biological evaluation of bosentan derivativesSusan Lepri, Laura Goracci, Aurora Valeri, et al.Free Radical Biology & Medicine|April 30, 2019
Computational solutions in redox lipidomics - Current strategies and future perspectivesZhixu Ni, Laura Goracci, Gabriele Cruciani, et al.Molecular Informatics|February 21, 2012
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to TargetFabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, et al.Journal of Chemical Information and Modeling|November 2, 2022
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein ScreeningDaniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, et al.Biotechnology Progress|August 7, 2004
An innovative application of the "flexible" GRID/PCA computational method: study of differences in selectivity between PGAs from Escherichia coli and a Providentia rettgeri mutantPaolo Braiuca, Gabriele Cruciani, Cynthia Ebert, et al.Journal of Medicinal Chemistry|May 28, 2004
Chemometric studies on the bactericidal activity of quinolones via an extended VolSurf approachGiovanni Cianchetta, Raimund Mannhold, Gabriele Cruciani, et al.Molecules (Basel, Switzerland)|November 24, 2018
On the Mechanism of Action of Anti-Inflammatory Activity of Hypericin: An In Silico Study Pointing to the Relevance of Janus Kinases InhibitionLuca Dellafiora, Gianni Galaverna, Gabriele Cruciani, et al.Pageof 19