Baroni M - Search Results

1

Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors.

Sciabola S, Carosati E, Cucurull-Sanchez L, Baroni M, Mannhold R. Sciabola S, et al. Among authors: baroni m. Bioorg Med Chem. 2007 Oct 1;15(19):6450-62. doi: 10.1016/j.bmc.2007.06.051. Epub 2007 Jun 30. Bioorg Med Chem. 2007. PMID: 17658263

2

Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase.

Sciabola S, Carosati E, Baroni M, Mannhold R. Sciabola S, et al. Among authors: baroni m. J Med Chem. 2005 Jun 2;48(11):3756-67. doi: 10.1021/jm049162m. J Med Chem. 2005. PMID: 15916427

3

Virtual screening for novel openers of pancreatic K(ATP) channels.

Carosati E, Mannhold R, Wahl P, Hansen JB, Fremming T, Zamora I, Cianchetta G, Baroni M. Carosati E, et al. Among authors: baroni m. J Med Chem. 2007 May 3;50(9):2117-26. doi: 10.1021/jm061440p. Epub 2007 Apr 11. J Med Chem. 2007. PMID: 17425298

4

Chemometric studies on the bactericidal activity of quinolones via an extended VolSurf approach.

Cianchetta G, Mannhold R, Cruciani G, Baroni M, Cecchetti V. Cianchetta G, et al. Among authors: baroni m. J Med Chem. 2004 Jun 3;47(12):3193-201. doi: 10.1021/jm030986y. J Med Chem. 2004. PMID: 15163198

5

Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow.

Sciabola S, Benedetti P, D'Arrigo G, Torella R, Baroni M, Cruciani G, Spyrakis F. Sciabola S, et al. Among authors: baroni m. ACS Med Chem Lett. 2018 Dec 13;10(4):487-492. doi: 10.1021/acsmedchemlett.8b00523. eCollection 2019 Apr 11. ACS Med Chem Lett. 2018. PMID: 30996784 Free PMC article.

6

Playing with opening and closing of heterocycles: using the cusmano-ruccia reaction to develop a novel class of oxadiazolothiazinones, active as calcium channel modulators and P-glycoprotein inhibitors.

Spinelli D, Budriesi R, Cosimelli B, Severi E, Micucci M, Baroni M, Fusi F, Ioan P, Cross S, Frosini M, Saponara S, Matucci R, Rosano C, Viale M, Chiarini A, Carosati E. Spinelli D, et al. Among authors: baroni m. Molecules. 2014 Oct 14;19(10):16543-72. doi: 10.3390/molecules191016543. Molecules. 2014. PMID: 25317581 Free PMC article.

7

A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.

Baroni M, Cruciani G, Sciabola S, Perruccio F, Mason JS. Baroni M, et al. J Chem Inf Model. 2007 Mar-Apr;47(2):279-94. doi: 10.1021/ci600253e. J Chem Inf Model. 2007. PMID: 17381166

8

FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set.

Cross S, Baroni M, Carosati E, Benedetti P, Clementi S. Cross S, et al. Among authors: baroni m. J Chem Inf Model. 2010 Aug 23;50(8):1442-50. doi: 10.1021/ci100221g. J Chem Inf Model. 2010. PMID: 20690627

9

High-throughput virtual screening of proteins using GRID molecular interaction fields.

Sciabola S, Stanton RV, Mills JE, Flocco MM, Baroni M, Cruciani G, Perruccio F, Mason JS. Sciabola S, et al. Among authors: baroni m. J Chem Inf Model. 2010 Jan;50(1):155-69. doi: 10.1021/ci9003317. J Chem Inf Model. 2010. PMID: 19919042

10

Flavin monooxygenase metabolism: why medicinal chemists should matter.

Cruciani G, Valeri A, Goracci L, Pellegrino RM, Buonerba F, Baroni M. Cruciani G, et al. Among authors: baroni m. J Med Chem. 2014 Jul 24;57(14):6183-96. doi: 10.1021/jm5007098. Epub 2014 Jul 15. J Med Chem. 2014. PMID: 25003501

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