Search Results - "BRAVI, G"

The Reduced Graph Descriptor in Virtual Screening and Data-Driven Clustering of High-Throughput Screening Data by Harper, G, Bravi, G. S, Pickett, S. D, Hussain, J, Green, D. V. S

“…Virtual screening and high-throughput screening are two major components of lead discovery within the pharmaceutical industry. In this paper we describe…”
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Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates by Ekins, S, Bravi, G, Wikel, J H, Wrighton, S A

“…To gain a better understanding of the active site of cytochrome P-450 (CYP) 3A4, a three-dimensional-quantitative structure activity relationship model was…”
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Three- and Four-Dimensional-Quantitative Structure Activity Relationship (3D/4D-QSAR) Analyses of CYP2C9 Inhibitors by EKINS, S, BRAVI, G, BINKLEY, S, GILLESPIE, J. S, RING, B. J, WIKEL, J. H, WRIGHTON, S. A

“…The interaction of competitive type inhibitors with the active site of cytochrome P450 (CYP) 2C9 has been predicted using three- and four-dimensional…”
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Enhanced Free-Electron Wavefunction Modulation via Photon-Induced Near-Field Electron Microscopy (PINEM) with Shaped Light Fields by Ferrari, Beatrice, Duncan, Cameron J., Ostroman, Irene, Bravi, Maria G., Rosi, Paolo, Rotunno, Enzo, Olaya, Jean-Cristophe, Park, S. T., Masiel, D., Grillo, Vincenzo, Kaminer, Ido, Garcia de Abajo, Francisco J., Lagrange, Thomas, Carbone, Fabrizio, Vanacore, Giovanni M.

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Creatine supplementation affords cytoprotection in oxidatively injured cultured mammalian cells via direct antioxidant activity by Sestili, Piero, Martinelli, Chiara, Bravi, Giorgio, Piccoli, Giovanni, Curci, Rosa, Battistelli, Michela, Falcieri, Elisabetta, Agostini, Deborah, Gioacchini, Anna Maria, Stocchi, Vilberto

“…A growing body of evidence suggests that creatine (Cr) might exert protective effects in a variety of pathologies where oxidative stress plays a concausal…”
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A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP by Patel, Yogendra, Gillet, Valerie J, Bravi, Gianpaolo, Leach, Andrew R

“…Three commercially available pharmacophore generation programs, Catalyst/HipHop, DISCO and GASP, were compared on their ability to generate known…”
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Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors by Ekins, S, Bravi, G, Binkley, S, Gillespie, J S, Ring, B J, Wikel, J H, Wrighton, S A

“…The program Catalyst was used to build three-dimensional quantitative structure activity relationship (3D-QSAR) pharmacophore models of the structural features…”
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Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6 by Ekins, S, Bravi, G, Ring, B J, Gillespie, T A, Gillespie, J S, Vandenbranden, M, Wrighton, S A, Wikel, J H

“…To begin to build an understanding of the interactions of CYP2B6 with substrates, two different 3-dimensional quantitative structure activity relationship…”
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MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: a comparative 3D QSAR study in a series of steroids by Bravi, G, Gancia, E, Mascagni, P, Pegna, M, Todeschini, R, Zaliani, A

“…The recently proposed WHIM (Weighted Holistic Invariant Molecular) approach [Todeschini, R., Lasagni, M. and Marengo, E., J. Chemometrics, 8 (1994) 263] has…”
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Global 3D-QSAR methods: MS-WHIM and autocorrelation by Gancia, E, Bravi, G, Mascagni, P, Zaliani, A

“…The recently proposed MS-WHIM indices, a set of theoretical descriptors containing information about size, shape and electrostatic distribution of a molecule,…”
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Substrate recognition by ribosome-inactivating protein studied by molecular modeling and molecular electrostatic potentials by Bravi, Gianpaolo, Legname, Giuseppe, Chan, A.W.Edith

“…A computer model of dianthin 30, a type 1 ribosome-inactivating protein (RIP), is constructed by homology modeling using two known X-ray structures; a type 1…”
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Statistico-clinical and statistico-therapeutic considerations on cutaneous melanomas by BRAVI, G

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On the energy extinction of the skin reaction to ultraviolet rays by BRAVI, G

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SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations by Bravi, Gianpaolo, Gancia, Emanuela, Zaliani, Andrea, Pegna, Monica

“…We describe a new clustering program, SONHICA (Simple Optimized Non‐HIerarchical Cluster Analysis), developed to analyze large data sets of molecular…”
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N-3-Substituted Pyrimidinones as Potent, Orally Active, AT1 Selective Angiotensin II Receptor Antagonists by Salimbeni, Aldo, Canevotti, Renato, Paleari, Fabio, Poma, Davide, Caliari, Saturnino, Fici, Francesco, Cirillo, Rocco, Renzetti, Anna R, Subissi, Alessandro

“…A novel series of nonpeptide angiotensin II (A II) antagonists containing a pyrimidinone ring which carries a C-linked biphenyltetrazole moiety and a…”
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A 3D QSAR CoMFA study of non-peptide angiotensin II receptor antagonists by Belvisi, L, Bravi, G, Catalano, G, Mabilia, M, Salimbeni, A, Scolastico, C

“…A series of non-peptide angiotensin II receptor antagonists was investigated with the aim of developing a 3D QSAR model using comparative molecular field…”
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Nonpeptide Angiotensin II Receptor Antagonists. Synthesis, in vitro Activity, and Molecular Modeling Studies of N-[(Heterobiaryl)methyl]imidazoles by Salimbeni, Aldo, Canevotti, Renato, Paleari, Fabio, Bonaccorsi, Fabrizio, Renzetti, Anna R., Belvisi, Laura, Bravi, Gianpaolo, Scolastico, Carlo

“…With the aim of explaining the influence of the structural changes on the biphenylic moiety on the activity, a series of N-[(heterobiaryl)methyl]imidazoles…”
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PLUMS:  a Program for the Rapid Optimization of Focused Libraries by Bravi, Gianpaolo, Green, Darren V. S, Hann, Michael M, Leach, Andrew R

“…PLUMS is a new method to perform rational monomer selection for combinatorial chemistry libraries. The algorithm has been developed to optimize focused…”
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A 3D QSAR approach to the search for geometrical similarity in a series of nonpeptide angiotensin II receptor antagonists by Belvisi, L, Bravi, G, Scolastico, C, Vulpetti, A, Salimbeni, A, Todeschini, R

“…A 3D QSAR methodology based on the combined use of conformational analysis and chemometrics was applied to perform a comparative analysis of the 3D…”
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Risultati terapeutici ottenuti con nebulizzazioni di acqua solforosa di Tabiano by BRAVI, G

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