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From Molecular Interaction Fields (MIF) to a widely Applicable Set of Descriptors 2001 Cruciani, Gabriele; Pastor, M.; Benedetti, Paolo; Clementi, Sergio
GBR Compounds and Mepyramines as Cocaine Abuse Therapeutics: Chemometric Studies on Selectivity Using Grid Independent Descriptors (GRIND) 2002 Benedetti, Paolo; Mannhold, R.; Cruciani, Gabriele; Pastor, M.
Distant collaboration in drug discovery: The LINK3D project 2002 Pastor, Manuel; Benedetti, Paolo; Carotti, Angelo; Carrieri, Antonio; Dã­az, Carlos; Herrã¡iz, Cristina; Hã¶ltje, Hans dieter; Loza, M. Isabel; Oprea, Tudor; Padã­n, Fernando; Pubill, Francesc; Sanz, Ferran; Stoll, Friederike
The CARSO procedure in process optimization 2003 Baroni, Massimo; Benedetti, Paolo; Fraternale, S.; Scialpi, F.; Vix, P.; Clementi, Sergio
Structure-based Rationalization of Antitumor Drug Mechanism of Action by a MIF Approach 2004 Cruciani, Gabriele; Benedetti, Paolo; Caltabianco, G.; Condorelli, D.; Fortuna, G.; Musumarra, G.
Design, synthesis and in vitro antitumor activity of new trans 2-[2-(heteroaryl)vinyl]-1,3-dimethylimidazolium iodides 2004 Ballistreri, Francesco P.; Barresi, Vincenza; Benedetti, Paolo; Caltabiano, Gianluigi; Fortuna, COSIMO GIANLUCA; Longo, Maria L.; Musumarra, Giuseppe
GRIND/ALMOND investigations on CysLT(1) receptor antagonists of the quinolinyl(bridged)aryl type 2004 Benedetti, Paolo; Mannhold, R.; Cruciani, Gabriele; Ottaviani, G.
Use of MIF-based VolSurf Descriptors in Physicochemical and Pharmacokinetic Studies 2006 Mannhold, Raimund; Berellini, Giuliano; Carosati, Emanuele; Benedetti, Paolo
Rapid ADME Filters for Lead Discovery 2006 Oprea, Tudor I.; Benedetti, Paolo; Berellini, Giuliano; Olah, Marius; Fejgin, Kim; Boyer, Scott
Fiber-optic mid-FTIR reflectance spectroscopy: a suitable technique for in-situ studies of mural paintings 2007 Miliani, Costanza; Rosi, Francesca; Borgia, Ilaria; Benedetti, Paolo; Brunetti, Brunetto Giovanni; Sgamellotti, Antonio
MetaSite: understanding CYP antitarget modelling for early toxicity detection 2008 Aristei, Yasmin; Cruciani, Gabriele; Clementi, Sergio; Carosati, Emanuele; Vianello, R.; Benedetti, Paolo
Non-invasive identification of organic materials in wall paintings by fiber optic reflectance infrared spectroscopy: a statistical multivariate approach 2009 Rosi, Francesca; Daveri, Alessia; Miliani, Costanza; Verri, G; Benedetti, Paolo; Piqué, F; Brunetti, Brunetto Giovanni; Sgamellotti, Antonio
FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set 2010 S., Cross; Baroni, Massimo; Carosati, Emanuele; Benedetti, Paolo; Clementi, Sergio
Inhibitor of Ovarian Cancer Cells Growth by Virtual Screening: A New Thiazole Derivative Targeting Human Thymidylate Synthase 2012 Carosati, Emanuele; Tochowicz, A.; Marverti, G.; Guaitoli, G.; Benedetti, Paolo; Ferrari, S.; Stroud, R. M.; Finer Moore, J.; Luciani, R.; Farina, D.; Cruciani, Gabriele; Costi, M. P.
Exposition and reactivity optimization to predict sites of metabolism in chemicals Review Article 2013 Cruciani, Gabriele; Baroni, Massimo; Benedetti, Paolo; Goracci, Laura; Cosimo Gianluca, Fortuna
Isozyme-Specific Ligands for O-acetylserine sulfhydrylase, a Novel Antibiotic Target 2013 Francesca, Spyrakis; Ratna, Singh; Pietro, Cozzini; Barbara, Campanini; Enea, Salsi; Paolo, Felici; Samanta, Raboni; Benedetti, Paolo; Cruciani, Gabriele; Glen E., Kellogg; Paul F., Cook; Andrea, Mozzarelli
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis 2014 Francesca, Spyrakis; Cellini, Barbara; Stefano, Bruno; Benedetti, Paolo; Carosati, Emanuele; Cruciani, Gabriele; Fabrizio, Micheli; Antonio, Felici; Pietro, Cozzini; Glen E., Kellogg; Carla Borri, Voltattorni; Andrea, Mozzarelli
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins 2015 Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions 2018 Cruciani, Gabriele; Milani, Nicolò; Benedetti, Paolo; Lepri, Susan; Cesarini, Lucia; Baroni, Massimo; Spyrakis, Francesca; Tortorella, Sara; Mosconi, Edoardo; Goracci, Laura
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow 2019 Sciabola, Simone; Benedetti, Paolo; D'Arrigo, Giulia; Torella, Rubben; Baroni, Massimo; Cruciani, Gabriele; Spyrakis, Francesca
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