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Mostrati risultati da 1 a 20 di 47
Titolo Data di pubblicazione Autore(i) File
Three-Dimensional Quantitative Structure-Properties Relationships 2003 Cruciani, Gabriele; Carosati, Emanuele; Clementi, Sergio
VolSurf: a tool for drug ADME-properties prediction 2004 Cruciani, Gabriele; Meniconi, Mirco; Carosati, Emanuele; Zamora, I.; Mannhold, R.
Hydrogen Bonding Interactions of Covalently-Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field 2004 Carosati, Emanuele; Sciabola, Simone; Cruciani, Gabriele
Peptide studies by means of principal properties of amino acids derived from MIF descriptors 2004 Cruciani, Gabriele; Baroni, Massimo; Carosati, Emanuele; Clementi, M.; Valigi, R.; Clementi, Sergio
Binding studies and GRIND/ALMOND-based 3D QSAR analysis of benzothiazine type K-ATP channel openers 2005 Carosati, Emanuele; Lemoine, H.; Spogli, Roberto; Grittner, D.; Mannhold, R.; Tabarrini, Oriana; Sabatini, Stefano; Cecchetti, Violetta
A new class of selective myocardial calcium channel modulators. 2. Role of the acetal chain in oxadiazol-3-one derivatives. 2005 Budriesi, R.; Carosati, Emanuele; Chiarini, A.; Cosimelli, B.; Cruciani, Gabriele; Ioan, P.; Spinelli, D.; Spisani, R.
MetaSite: Understanding Metabolism in Human Cytochromes from the Perspective of the Chemist 2005 Cruciani, Gabriele; Carosati, Emanuele; De Boeck, B.; Ethirajulu, K.; Mackie, C.; Howe, T.; Vianello, R.
Recent improvement in the GRID Force Field. 1. The docking Procedure GLUE 2006 Sciabola, Simone; Baroni, Massimo; Carosati, Emanuele; Cruciani, Gabriele
Recent improvement in the GRID Force Field. 2. A new Angular Function Derived from Crystallographic Data for describing Hydrogen Bonding Interactions of Covalenty-Bonded Fluorine Atoms 2006 Carosati, Emanuele; Sciabola, Simone; Cruciani, Gabriele
Use of a Combined GLUE/ALMOND Approach in QSAR-Studies on (aryl) Bridged 2-Aminobenzonitriles Inhibiting HIV-1 Reverse Transcriptase 2006 Sciabola, Simone; Carosati, Emanuele; Baroni, Massimo; R., Vianello; R., Mannhold; Cruciani, Gabriele
Use of MIF-based VolSurf Descriptors in Physicochemical and Pharmacokinetic Studies 2006 Mannhold, Raimund; Berellini, Giuliano; Carosati, Emanuele; Benedetti, Paolo
Calcium channel antagonists discovered by a multidisciplinary approach 2006 Carosati, Emanuele; Cruciani, Gabriele; Chiarini, A.; Budriesi, R.; Ioan, P.; Spisani, R.; Cosimelli, B.; Fusi, F.; Frosini, M.; Matucci, R.; Gasparrini, F.; Ciogli, A.; Stephens, P.; Devlin, F.
The Complexity of Molecular Interaction: Molecular Shape Fingerprints by the PathFinder Approach 2006 Mclay, I.; Hann, M.; Carosati, Emanuele; Cruciani, Gabriele; Baroni, Massimo
Characterization of Protein-Binding Sites and Ligands Using Molecular Interaction Fields 2007 Cruciani, Gabriele; Carosati, Emanuele; Wade, R.; Baroni, Massimo
MetaSite: understanding CYP antitarget modelling for early toxicity detection 2008 Aristei, Yasmin; Cruciani, Gabriele; Clementi, Sergio; Carosati, Emanuele; Vianello, R.; Benedetti, Paolo
Discovery of Novel and Cardioselective Diltiazem-like Calcium Channel Blockers via Virtual Screening 2008 Carosati, Emanuele; Budriesi, R.; Ioan, P.; Ugenti, M. P.; Frosini, M.; Fusi, F.; Corda, G.; Cosimelli, B.; Spinelli, D.; Chiarini, A.; Cruciani, Gabriele
L-Type Calcium Channel Blockers: From Diltiazem to 1,2,4-Oxadiazol-5-ones via Thiazinooxadiazol-3-one Derivatives 2009 Budriesi, R; Cosimelli, B; Ioan, P; Ugenti, Mp; Carosati, Emanuele; Frosini, M; Fusi, F; Spisani, R; Saponara, S; Cruciani, Gabriele; Novellino, E; Spinelli, D; Chiarini, A.
Stereoselective Behavior of the Functional Diltiazem Analogue 1-[(4-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine, a New L-Type Calcium Channel Blocker 2009 Carosati, Emanuele; Budriesi, R; Ioan, P; Cruciani, Gabriele; Fusi, F; Frosini, M; Saponara, S; Gasparrini, F; Ciogli, A; Villani, C; Stephens, Pj; Devlin, Fj; Spinelli, D; Chiarini, A.
Ligands of Diltiazem Binding Site: An Overview of Some Chemotypes 2009 Budriesi, R; Ioan, P; Carosati, Emanuele; Cruciani, Gabriele; Zhorov, Bs; Chiarini, A.
Integrating Crystallography into Early Metabolism Studies 2009 Cruciani, Gabriele; Aristei, Yasmin; Goracci, Laura; Carosati, Emanuele
Mostrati risultati da 1 a 20 di 47
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