A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application M Baroni, G Cruciani, S Sciabola, F Perruccio, JS Mason Journal of chemical information and modeling 47 (2), 279-294, 2007 | 487 | 2007 |
Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field E Carosati, S Sciabola, G Cruciani Journal of medicinal chemistry 47 (21), 5114-5125, 2004 | 260 | 2004 |
Sequence motifs associated with hepatotoxicity of locked nucleic acid—modified antisense oligonucleotides AD Burdick, S Sciabola, SR Mantena, BD Hollingshead, R Stanton, ... Nucleic acids research 42 (8), 4882-4891, 2014 | 159 | 2014 |
Chemical modification study of antisense gapmers R Stanton, S Sciabola, C Salatto, Y Weng, D Moshinsky, J Little, E Walters, ... Nucleic acid therapeutics 22 (5), 344-359, 2012 | 158 | 2012 |
From target to drug: generative modeling for the multimodal structure-based ligand design M Skalic, D Sabbadin, B Sattarov, S Sciabola, G De Fabritiis Molecular pharmaceutics 16 (10), 4282-4291, 2019 | 111 | 2019 |
High-throughput virtual screening of proteins using GRID molecular interaction fields S Sciabola, RV Stanton, JE Mills, MM Flocco, M Baroni, G Cruciani, ... Journal of chemical information and modeling 50 (1), 155-169, 2010 | 92 | 2010 |
A novel binding mode reveals two distinct classes of NMDA receptor GluN2B-selective antagonists D Stroebel, DL Buhl, JD Knafels, PK Chanda, M Green, S Sciabola, ... Molecular pharmacology 89 (5), 541-551, 2016 | 91 | 2016 |
High throughput method for the indirect detection of intramolecular hydrogen bonding GH Goetz, W Farrell, M Shalaeva, S Sciabola, D Anderson, J Yan, ... Journal of Medicinal Chemistry 57 (7), 2920-2929, 2014 | 88 | 2014 |
DeltaDelta neural networks for lead optimization of small molecule potency J Jiménez-Luna, L Pérez-Benito, G Martinez-Rosell, S Sciabola, R Torella, ... Chemical science 10 (47), 10911-10918, 2019 | 61 | 2019 |
Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-) bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase S Sciabola, E Carosati, M Baroni, R Mannhold Journal of medicinal chemistry 48 (11), 3756-3767, 2005 | 60 | 2005 |
High-throughput biochemical kinase selectivity assays: panel development and screening applications A Card, C Caldwell, H Min, B Lokchander, H Xi, S Sciabola, AV Kamath, ... Journal of biomolecular screening 14 (1), 31-42, 2009 | 54 | 2009 |
Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs N Ferruz, S Doerr, MA Vanase-Frawley, Y Zou, X Chen, ES Marr, ... Scientific reports 8 (1), 897, 2018 | 50 | 2018 |
Predicting kinase selectivity profiles using Free-Wilson QSAR analysis S Sciabola, RV Stanton, S Wittkopp, S Wildman, D Moshinsky, S Potluri, ... Journal of chemical information and modeling 48 (9), 1851-1867, 2008 | 43 | 2008 |
Pharmacophoric fingerprint method (TOPP) for 3D-QSAR modeling: application to CYP2D6 metabolic stability S Sciabola, I Morao, MJ de Groot Journal of chemical information and modeling 47 (1), 76-84, 2007 | 40 | 2007 |
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D-and 3D-descriptors S Sciabola, E Carosati, L Cucurull-Sanchez, M Baroni, R Mannhold Bioorganic & medicinal chemistry 15 (19), 6450-6462, 2007 | 37 | 2007 |
Improved nucleic acid descriptors for siRNA efficacy prediction S Sciabola, Q Cao, M Orozco, I Faustino, RV Stanton Nucleic acids research 41 (3), 1383-1394, 2013 | 31 | 2013 |
PFRED: A computational platform for siRNA and antisense oligonucleotides design S Sciabola, H Xi, D Cruz, Q Cao, C Lawrence, T Zhang, S Rotstein, ... PLoS One 16 (1), e0238753, 2021 | 30 | 2021 |
Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network S Sciabola, GH Goetz, G Bai, BN Rogers, DL Gray, A Duplantier, ... Bioorganic & Medicinal Chemistry 24 (16), 3513-3520, 2016 | 30 | 2016 |
Theoretical prediction of the enantiomeric excess in asymmetric catalysis. An alignment-independent molecular interaction field based approach S Sciabola, A Alex, PD Higginson, JC Mitchell, MJ Snowden, I Morao The Journal of Organic Chemistry 70 (22), 9025-9027, 2005 | 30 | 2005 |
The discovery of a novel phosphodiesterase (PDE) 4B-preferring radioligand for positron emission tomography (PET) imaging L Zhang, L Chen, EM Beck, TA Chappie, RV Coelho, SD Doran, KH Fan, ... Journal of Medicinal Chemistry 60 (20), 8538-8551, 2017 | 28 | 2017 |