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Mostrati risultati da 1 a 20 di 259
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The active site of acetylcholinesterase: validation of a new computational model 1-gen-1999 Rotiroti, D; Rispoli, V; Marra, R; Ortuso, F; Carelli, V; Liberatore, F; Scipione, L; Alcaro, S
Monte Carlo simulation of DNA - azinomycin B interaction: case study of CPU intensive calculations distributed on UNIX platforms 1-gen-2001 Alcaro, S; Ortuso, F.; Coleman, R. S.
Structural and conformational study of β-blockers/β-cyclodextrin complexes 1-gen-2001 Ficarra, R; Raneri, D; Calabrò, M. L.; Tommasini, S; Alcaro, S; Ortuso, F; Ficarra, P
Development of Selenium based molecular mechanics parameters: an application to antisense nucleotides 1-gen-2001 Tafi, A; Ortuso, F; Wozniak, L. A.; GÁCS-BAITZ, E; Botta, M; Alcaro, S
Simulazioni Monte Carlo delle interazioni tra l'Azinomicina B e il DNA: esempio di calcolo intensivo distribuito su piattaforme UNIX 1-gen-2001 Alcaro, S; Ortuso, F; Coleman, R. S.
Evaluation of COX-2 selectivity and molecular modeling of novel 3,3'-(1,2-ethanedyil)bis-[2-(methoxyphenyl)-thiazolidin-4-ones] with antiinflam-matory activity 1-gen-2001 Ottanà, R; Monforte, F; DE LUCA, G; Maccari, R; Ortuso, F; Vigorita, M. G.; Alcaro, S
New charges for n7 alkylated purines useful for conformational searching of nucleic acid adducts: application to azinomycin B - DNA interactions 1-gen-2001 Alcaro, S; Coleman, R. S.; Ortuso, F
Conformational search of antisense nucleotides 1-gen-2001 Alcaro, S; Tafi, A.; Wozniak, L. A.; GÁCS-BAITZ, E.; Botta, M.; Ortuso, F
Characterization and molecular modelling of paclitaxel-cyclodextrin complexes. 1-gen-2002 Ventura, Ca; Alcaro, S; Paolino, D; Battaglia, D; Ortuso, F; Cattel, C; Puglisi, G and Fresta M
Molecular Modeling of Paraquat and MPP+ recognition with Acetylcholinesterase: implication in neurotoxicity 1-gen-2002 Alcaro, S; Ortuso, F.; Battaglia, D.; Vecchio, I.; Iannone, M.; Rotiroti, D.
Molecular modeling of paraquat and MPP+ recognition with acetylcholinesterse: implication in neurotoxicity 1-gen-2002 Alcaro, S; Ortuso, F; Battaglia, D; Vecchio, I; Iannone, M; Rotiroti, D
Screening virtuale di inibitori selettivi dell’SCF 1-gen-2002 Gontrani, L; Grieco, M; Incani, O; Ortuso, F; Rotiroti, D; Venuta, S; Alcaro, S
Rational drug design of Azinomycin analogs 1-gen-2002 Alcaro, S; Ortuso, F.; Coleman, R. S.
Force field parameterization of selenium based nucleotides 1-gen-2002 Alcaro, S; Battaglia, D; Tafi, A; Botta, M; Ortuso, F
Modeling and biological evaluation of 3,3V-(1,2-ethanediyl)bis[2-(4-methoxyphenyl)-thiazolidin-4-one], a new synthetic cyclooxygenase-2 inhibitor 1-gen-2002 Ottana, R; Mazzon, E; Dugo, L; Monforte, F; Maccari, R; Sautebin, L; DE LUCA, G; Vigorita, M. G.; Ortuso, F; Caputi, A. P.; Cuzzocrea, S; Alcaro, S
Molecular modeling and enzymatic studies of the interaction of a choline analogue and acetylcholinesterase 1-gen-2002 Scipione, L; Ortuso, F; Posca, S; Rispoli, V; Rotiroti, D; Alcaro, S
Preparation, characterization,molecular modeling and in vitro activity of paclitaxel cyclodextrin complexes 1-gen-2002 Ventura, C. A.; Battaglia, D; Ortuso, F; Cattel, L; Puglisi, G; Alcaro, S; Fresta, M; Paolino, D
DNA Cross-Linking by Azinomycin B: Monte Carlo Simulations in the Evaluation of Sequence Selectivity 1-gen-2002 Ortuso, F; Coleman, R. S.; Alcaro, S
GRID-based pharmacophore model generation 1-gen-2003 Ortuso, F
MOLecular INteraction Evaluation: an original docking methodology applied to drug design 1-gen-2003 Ortuso, F; Gallelli, A; Battaglia, D; Alcaro, S
Mostrati risultati da 1 a 20 di 259
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