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1. D'Ursi P, Chiappori F, Salvi E, Merelli I, Rovida E, Milanesi L Grid docking simulations for comparative ligand binding of neuraminidase structures Meeting: BITS 2007 - Year: 2007 Full text in a new tab Topic: Structural biology and drug design Abstract: Missing |
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2. D'Ursi P, Salvi E, Fossa P, Milanesi L, Rovida E Modelling the interaction of steroid receptors with organic polychlorinated compounds Meeting: BITS 2005 - Year: 2005 Full text in a new tab Topic: Unspecified Abstract: The organic polychlorinated compounds like dichlorodiphenyltrichloroethane (DDT) with its metabolites and polychlorinated biphenyls (PCBs) are present in atmospheric particulate as persistent contaminants. They have been recognized to have detrimental health effects both on wildlife and humans acting as endocrine disrupters (EDC) due to their ability of mimicking the action of the steroid hormone thus interfering with hormone response. There are several experimental evidences that they bind and activate human steroid receptors. Despite the growing concern about the toxicological activity of EDC, molecular data of the interaction of this compounds with biological targets are still lacking. In order to better understand the ability of EDC to bind in the receptor hormone binding pocket, we have simulated by docking approach the molecular models of the complexes of estrogen, progesterone and androgen receptors with DDT and PCB family compounds. |
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3. Marino F, Morra G, D'Ursi P, Salvi E, Milanesi L, Faioni E, Rovida E Molecular dynamics and docking simulation of the G216D mutation in the catalytic domain of activated protein C Meeting: BITS 2006 - Year: 2006 Full text in a new tab Topic: Molecolar evolution Abstract: Missing |
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4. Orro A, Guffanti G, Salvi E, Macciardi F, Milanesi L Data Management and Genome Wide Association Screening Meeting: BITS 2007 - Year: 2007 Full text in a new tab Topic: Large scale analysis of experimental data Abstract: Missing |