Moro S - Search Results

1

Supervised molecular dynamics (SuMD) as a helpful tool to depict GPCR-ligand recognition pathway in a nanosecond time scale.

Sabbadin D, Moro S. Sabbadin D, et al. Among authors: moro s. J Chem Inf Model. 2014 Feb 24;54(2):372-6. doi: 10.1021/ci400766b. Epub 2014 Feb 3. J Chem Inf Model. 2014. PMID: 24456045

2

Ligand-based homology modeling as attractive tool to inspect GPCR structural plasticity.

Moro S, Deflorian F, Bacilieri M, Spalluto G. Moro S, et al. Curr Pharm Des. 2006;12(17):2175-85. doi: 10.2174/138161206777585265. Curr Pharm Des. 2006. PMID: 16796562 Review.

3

In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study.

Bortolato A, Moro S. Bortolato A, et al. Among authors: moro s. J Chem Inf Model. 2007 Mar-Apr;47(2):572-82. doi: 10.1021/ci600369n. J Chem Inf Model. 2007. PMID: 17381174

4

Tandem 3D-QSARs approach as a valuable tool to predict binding affinity data: design of new Gly/NMDA receptor antagonists as a key study.

Bacilieri M, Varano F, Deflorian F, Marini M, Catarzi D, Colotta V, Filacchioni G, Galli A, Costagli C, Kaseda C, Moro S. Bacilieri M, et al. Among authors: moro s. J Chem Inf Model. 2007 Sep-Oct;47(5):1913-22. doi: 10.1021/ci7001846. Epub 2007 Aug 28. J Chem Inf Model. 2007. PMID: 17722877

5

Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A2A receptor.

Michielan L, Bacilieri M, Schiesaro A, Bolcato C, Pastorin G, Spalluto G, Cacciari B, Klotz KN, Kaseda C, Moro S. Michielan L, et al. Among authors: moro s. J Chem Inf Model. 2008 Feb;48(2):350-63. doi: 10.1021/ci700300w. Epub 2008 Jan 24. J Chem Inf Model. 2008. PMID: 18215030

6

Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates.

Michielan L, Terfloth L, Gasteiger J, Moro S. Michielan L, et al. Among authors: moro s. J Chem Inf Model. 2009 Nov;49(11):2588-605. doi: 10.1021/ci900299a. J Chem Inf Model. 2009. PMID: 19883102

7

Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach: the human adenosine receptors as a key study.

Michielan L, Stephanie F, Terfloth L, Hristozov D, Cacciari B, Klotz KN, Spalluto G, Gasteiger J, Moro S. Michielan L, et al. Among authors: moro s. J Chem Inf Model. 2009 Dec;49(12):2820-36. doi: 10.1021/ci900311j. J Chem Inf Model. 2009. PMID: 19908874

8

Pharmaceutical perspectives of nonlinear QSAR strategies.

Michielan L, Moro S. Michielan L, et al. Among authors: moro s. J Chem Inf Model. 2010 Jun 28;50(6):961-78. doi: 10.1021/ci100072z. J Chem Inf Model. 2010. PMID: 20527756 Review. No abstract available.

9

3-Hydroxy-1H-quinazoline-2,4-dione derivatives as new antagonists at ionotropic glutamate receptors: molecular modeling and pharmacological studies.

Colotta V, Lenzi O, Catarzi D, Varano F, Squarcialupi L, Costagli C, Galli A, Ghelardini C, Pugliese AM, Maraula G, Coppi E, Pellegrini-Giampietro DE, Pedata F, Sabbadin D, Moro S. Colotta V, et al. Among authors: moro s. Eur J Med Chem. 2012 Aug;54:470-82. doi: 10.1016/j.ejmech.2012.05.036. Epub 2012 Jun 4. Eur J Med Chem. 2012. PMID: 22704999

10

Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human a(3) adenosine receptor antagonists.

Federico S, Ciancetta A, Sabbadin D, Paoletta S, Pastorin G, Cacciari B, Klotz KN, Moro S, Spalluto G. Federico S, et al. Among authors: moro s. J Med Chem. 2012 Nov 26;55(22):9654-68. doi: 10.1021/jm300899q. Epub 2012 Nov 9. J Med Chem. 2012. PMID: 23098605

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