MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist G Cruciani, E Carosati, B De Boeck, K Ethirajulu, C Mackie, T Howe, ... Journal of medicinal chemistry 48 (22), 6970-6979, 2005 | 535 | 2005 |
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 |
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, ... Journal of medicinal chemistry 54 (6), 1740-1751, 2011 | 177 | 2011 |
IAP antagonists: promising candidates for cancer therapy R Mannhold, S Fulda, E Carosati Drug discovery today 15 (5-6), 210-219, 2010 | 152 | 2010 |
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 2): action in other targets and antitargets E Carosati, P Ioan, M Micucci, F Broccatelli, G Cruciani, BS Zhorov, ... Current medicinal chemistry 19 (25), 4306-4323, 2012 | 137 | 2012 |
FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set S Cross, M Baroni, E Carosati, P Benedetti, S Clementi Journal of chemical information and modeling 50 (8), 1442-1450, 2010 | 116 | 2010 |
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 1): action in ion channels and GPCRs P Ioan, E Carosati, M Micucci, G Cruciani, F Broccatelli, B S Zhorov, ... Current medicinal chemistry 18 (32), 4901-4922, 2011 | 111 | 2011 |
Pyrazolo[4,3-c][1,2]benzothiazines 5,5-Dioxide: A Promising New Class of Staphylococcus aureus NorA Efflux Pump Inhibitors S Sabatini, F Gosetto, S Serritella, G Manfroni, O Tabarrini, N Iraci, ... Journal of Medicinal Chemistry 55 (7), 3568-3572, 2012 | 100 | 2012 |
Discovery of Novel Inhibitors of the NorA Multidrug Transporter of Staphylococcus aureus JP Brincat, E Carosati, S Sabatini, G Manfroni, A Fravolini, JL Raygada, ... Journal of medicinal chemistry 54 (1), 354-365, 2011 | 83 | 2011 |
ADME-Space: a new tool for medicinal chemists to explore ADME properties G Bocci, E Carosati, P Vayer, A Arrault, S Lozano, G Cruciani Scientific Reports 7 (1), 6359, 2017 | 74 | 2017 |
Calcium channel antagonists discovered by a multidisciplinary approach E Carosati, G Cruciani, A Chiarini, R Budriesi, P Ioan, R Spisani, ... Journal of Medicinal Chemistry 49 (17), 5206-5216, 2006 | 72 | 2006 |
Peptide studies by means of principal properties of amino acids derived from MIF descriptors G Cruciani, M Baroni, E Carosati, M Clementi, R Valigi, S Clementi Journal of Chemometrics 18 (3‐4), 146-155, 2004 | 67 | 2004 |
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 |
The flavonoid scaffold as a template for the design of modulators of the vascular Cav1.2 channels S Saponara, E Carosati, P Mugnai, G Sgaragli, F Fusi British Journal of Pharmacology 164 (6), 1684-1697, 2011 | 56 | 2011 |
Homodimeric enzymes as drug targets D Cardinale, OMH Salo-Ahen, S Ferrari, G Ponterini, G Cruciani, ... Current medicinal chemistry 17 (9), 826-846, 2010 | 55 | 2010 |
Large, chemically diverse dataset of log P measurements for benchmarking studies S Martel, F Gillerat, E Carosati, D Maiarelli, IV Tetko, R Mannhold, ... European Journal of Pharmaceutical Sciences 48 (1-2), 21-29, 2013 | 53 | 2013 |
Virtual screening for novel openers of pancreatic KATP channels E Carosati, R Mannhold, P Wahl, JB Hansen, T Fremming, I Zamora, ... Journal of medicinal chemistry 50 (9), 2117-2126, 2007 | 51 | 2007 |
A new class of selective myocardial calcium channel modulators. 2. Role of the acetal chain in oxadiazol-3-one derivatives R Budriesi, E Carosati, A Chiarini, B Cosimelli, G Cruciani, P Ioan, ... Journal of medicinal chemistry 48 (7), 2445-2456, 2005 | 49 | 2005 |
QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability F Broccatelli, R Mannhold, A Moriconi, S Giuli, E Carosati Molecular pharmaceutics 9 (8), 2290-2301, 2012 | 45 | 2012 |
Transporter‐mediated efflux influences CNS side effects: ABCB1, from antitarget to target F Broccatelli, E Carosati, G Cruciani, TI Oprea Molecular informatics 29 (1‐2), 16-26, 2010 | 45 | 2010 |