Sfoglia per Autore
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm
2006-01-01 G. E., Kellogg; M., Fornabaio; D. L., Chen; D. J., Abraham; Spyrakis, Francesca; Cozzini, Pietro; Mozzarelli, Andrea
A fast empirical scoring method for docking and virtual screening
2007-01-01 Cozzini, Pietro; Spyrakis, Francesca; A., Amadasi; Mozzarelli, Andrea; G. E., Kellogg
Energetics of the protein-DNA-water interaction
2007-01-01 Spyrakis, F; Cozzini, P; Bertoli, C; Marabotti, A; Kellogg, Ge; Mozzarelli, A.
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes
2007-01-01 A., Tripathi; M., Fornabaio; Spyrakis, Francesca; Mozzarelli, Andrea; Cozzini, Pietro; Ge, Kellogg
Molecular modeling of binding between amidinobenzisothiazoles, with antidegenerative activity on cartilage, and matrix metalloproteinase-3
2007-01-01 Amadasi, A.; Cozzini, Pietro; Incerti, Matteo; Duce, Elenia; Fisicaro, Emilia; Vicini, Paola
Explaining cyclodextrin-mycotoxin interactions using a "naturtal force field"
2007-01-01 Amadasi, A; Dall'Asta, Chiara; Ingletto, Gianluigi; Pela, R; Marchelli, Rosangela; Cozzini, Pietro
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes
2007-01-01 A., Tripathi; M., Fornabaio; F., Spyrakis; Mozzarelli, Andrea; Cozzini, Pietro; Kellogg, Ge
Scoring functions for virtual screening
2007-01-01 Spyrakis, Francesca; Kellogg, G. E.; Amadasi, A; Cozzini, Pietro
The consequences of scoring docked ligand conformations using free energy correlations
2007-01-01 Spyrakis, Francesca; Amadasi, A; Fornabaio, M; Abraham, Dj; Mozzarelli, Andrea; Kellogg, Ge; Cozzini, Pietro
Energy-based code for preferential amino acid-base recognition
2008-01-01 Spyrakis, Francesca; Marabotti, ANNA CLAUDIA; A., Facchiano; Cozzini, Pietro; G. E., Kellogg; D. J., Abraham; Mozzarelli, Andrea
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity
2008-01-01 R., Ponassi; B., Biasotti; V., Tomati; S., Bruno; A., Poggi; D., Malacarne; G., Cimoli; A., Salis; S., Pozzi; M., Miglino; G., Damonte; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; L., Bagnasco; N., Castagnino; L., Tortolina; A., Mumot; F., Frassoni; A., Daga; M., Cilli; F., Piccardi; I., Monfardini; M., Perugini; G., Zoppoli; C., D'Arrigo; R., Pesenti; S., Parodi
Energy-based prediction of amino acid-nucleotide base recognition
2008-01-01 Marabotti, ANNA CLAUDIA; Spyrakis, Francesca; Facchiano, A; Cozzini, Pietro; Alberti, S; Kellogg, Ge; Mozzarelli, Andrea
Mycotoxin detection plays "cops and robbers": cyclodextrin chemosensors as specialized police?
2008-01-01 Cozzini, Pietro; Ingletto, Gianluigi; Singh, R; Dall'Asta, Chiara; Epub, Dec
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases
2008-01-01 O. A., Gani; O. A., Adekoya; L., Giurato; Spyrakis, Francesca; Cozzini, Pietro; S., Guccione; J. O. WINBERG AND I., Sylte
Target flexibility: an emerging consideration in drug discovery and design
2008-01-01 Cozzini, Pietro; Kellogg, Ge; Spyrakis, Francesca; Abraham, Dj; Costantino, Gabriele; Emerson, A; Fanelli, F; Gohlke, H; Kuhn, La; Morris, Gm; Orozco, M; Pertinhez, Thelma; Rizzi, M; Sotriffer, C.
Robust classification of "Relevant" water molecules in putative protein binding sites
2008-01-01 A., Amadasi; A., Surface; Spyrakis, Francesca; Cozzini, Pietro; Mozzarelli, Andrea
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility
2009-01-01 Spyrakis, Francesca; Cozzini, Pietro
Identification of Xenoestrogens in Food Additives by an Integrated in Silico and in Vitro Approach
2009-01-01 Amadasi, A; Mozzarelli, Andrea; Meda, C; Maggi, A; Cozzini, Pietro
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana
2009-01-01 Faggiano, Serena; Abbruzzetti, Stefania; Spyrakis, Francesca; Grandi, Elena; Viappiani, Cristiano; Bruno, Stefano; Mozzarelli, Andrea; Cozzini, Pietro; A., Astegno; P., Dominici; S., Brogioni; A., Feis; G., Smulevich; O., Carrillo; P., Schmidtke; A., Bidon Chanal; F. J., Luque
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature.
2010-01-01 E., Salsi; A., Bayden; Spyrakis, Francesca; A., Amadasi; Campanini, Barbara; Bettati, Stefano; Cozzini, Pietro; G. E., Kellogg; P. F., Cook; T., Dodatko; S. L., Roderick; Mozzarelli, Andrea
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Tools for Building a Comprehensive Modeling System for Virtual Screening under Real Biological Conditions: The Computational Titration Algorithm | 1-gen-2006 | G. E., Kellogg; M., Fornabaio; D. L., Chen; D. J., Abraham; Spyrakis, Francesca; Cozzini, Pietro; Mozzarelli, Andrea | |
A fast empirical scoring method for docking and virtual screening | 1-gen-2007 | Cozzini, Pietro; Spyrakis, Francesca; A., Amadasi; Mozzarelli, Andrea; G. E., Kellogg | |
Energetics of the protein-DNA-water interaction | 1-gen-2007 | Spyrakis, F; Cozzini, P; Bertoli, C; Marabotti, A; Kellogg, Ge; Mozzarelli, A. | |
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes | 1-gen-2007 | A., Tripathi; M., Fornabaio; Spyrakis, Francesca; Mozzarelli, Andrea; Cozzini, Pietro; Ge, Kellogg | |
Molecular modeling of binding between amidinobenzisothiazoles, with antidegenerative activity on cartilage, and matrix metalloproteinase-3 | 1-gen-2007 | Amadasi, A.; Cozzini, Pietro; Incerti, Matteo; Duce, Elenia; Fisicaro, Emilia; Vicini, Paola | |
Explaining cyclodextrin-mycotoxin interactions using a "naturtal force field" | 1-gen-2007 | Amadasi, A; Dall'Asta, Chiara; Ingletto, Gianluigi; Pela, R; Marchelli, Rosangela; Cozzini, Pietro | |
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes | 1-gen-2007 | A., Tripathi; M., Fornabaio; F., Spyrakis; Mozzarelli, Andrea; Cozzini, Pietro; Kellogg, Ge | |
Scoring functions for virtual screening | 1-gen-2007 | Spyrakis, Francesca; Kellogg, G. E.; Amadasi, A; Cozzini, Pietro | |
The consequences of scoring docked ligand conformations using free energy correlations | 1-gen-2007 | Spyrakis, Francesca; Amadasi, A; Fornabaio, M; Abraham, Dj; Mozzarelli, Andrea; Kellogg, Ge; Cozzini, Pietro | |
Energy-based code for preferential amino acid-base recognition | 1-gen-2008 | Spyrakis, Francesca; Marabotti, ANNA CLAUDIA; A., Facchiano; Cozzini, Pietro; G. E., Kellogg; D. J., Abraham; Mozzarelli, Andrea | |
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity | 1-gen-2008 | R., Ponassi; B., Biasotti; V., Tomati; S., Bruno; A., Poggi; D., Malacarne; G., Cimoli; A., Salis; S., Pozzi; M., Miglino; G., Damonte; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; L., Bagnasco; N., Castagnino; L., Tortolina; A., Mumot; F., Frassoni; A., Daga; M., Cilli; F., Piccardi; I., Monfardini; M., Perugini; G., Zoppoli; C., D'Arrigo; R., Pesenti; S., Parodi | |
Energy-based prediction of amino acid-nucleotide base recognition | 1-gen-2008 | Marabotti, ANNA CLAUDIA; Spyrakis, Francesca; Facchiano, A; Cozzini, Pietro; Alberti, S; Kellogg, Ge; Mozzarelli, Andrea | |
Mycotoxin detection plays "cops and robbers": cyclodextrin chemosensors as specialized police? | 1-gen-2008 | Cozzini, Pietro; Ingletto, Gianluigi; Singh, R; Dall'Asta, Chiara; Epub, Dec | |
Theoretical calculations of the catalytic triad in short chain alcohol dehydrogenases/reductases | 1-gen-2008 | O. A., Gani; O. A., Adekoya; L., Giurato; Spyrakis, Francesca; Cozzini, Pietro; S., Guccione; J. O. WINBERG AND I., Sylte | |
Target flexibility: an emerging consideration in drug discovery and design | 1-gen-2008 | Cozzini, Pietro; Kellogg, Ge; Spyrakis, Francesca; Abraham, Dj; Costantino, Gabriele; Emerson, A; Fanelli, F; Gohlke, H; Kuhn, La; Morris, Gm; Orozco, M; Pertinhez, Thelma; Rizzi, M; Sotriffer, C. | |
Robust classification of "Relevant" water molecules in putative protein binding sites | 1-gen-2008 | A., Amadasi; A., Surface; Spyrakis, Francesca; Cozzini, Pietro; Mozzarelli, Andrea | |
How computational methods try to disclose the estrogen receptor secrecy - Modelling the flexibility | 1-gen-2009 | Spyrakis, Francesca; Cozzini, Pietro | |
Identification of Xenoestrogens in Food Additives by an Integrated in Silico and in Vitro Approach | 1-gen-2009 | Amadasi, A; Mozzarelli, Andrea; Meda, C; Maggi, A; Cozzini, Pietro | |
Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana | 1-gen-2009 | Faggiano, Serena; Abbruzzetti, Stefania; Spyrakis, Francesca; Grandi, Elena; Viappiani, Cristiano; Bruno, Stefano; Mozzarelli, Andrea; Cozzini, Pietro; A., Astegno; P., Dominici; S., Brogioni; A., Feis; G., Smulevich; O., Carrillo; P., Schmidtke; A., Bidon Chanal; F. J., Luque | |
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. | 1-gen-2010 | E., Salsi; A., Bayden; Spyrakis, Francesca; A., Amadasi; Campanini, Barbara; Bettati, Stefano; Cozzini, Pietro; G. E., Kellogg; P. F., Cook; T., Dodatko; S. L., Roderick; Mozzarelli, Andrea |
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