| 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 | 513 | 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 | 266 | 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 | 176 | 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 | 164 | 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 | 130 | 2019 |
| 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 | 101 | 2014 |
| 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 | 100 | 2016 |
| 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 | 95 | 2010 |
| 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 | 70 | 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 | 58 | 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 | 54 | 2018 |
| Prospective validation of machine learning algorithms for absorption, distribution, metabolism, and excretion prediction: An industrial perspective C Fang, Y Wang, R Grater, S Kapadnis, C Black, P Trapa, S Sciabola Journal of Chemical Information and Modeling 63 (11), 3263-3274, 2023 | 46 | 2023 |
| 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 | 45 | 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 | 41 | 2007 |
| cMolGPT: A conditional generative pre-trained transformer for target-specific de novo molecular generation Y Wang, H Zhao, S Sciabola, W Wang Molecules 28 (11), 4430, 2023 | 40 | 2023 |
| 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 | 39 | 2021 |
| 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 | 37 | 2013 |
| 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 |
| 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 | 33 | 2016 |
Gabriele CrucianiUniversità di PerugiaΗ διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα unipg.it
