Università della Svizzera italiana

Rational modification of estrogen receptor by combination of computational and experimental analysis

Ferrero, Valentina Elisabetta Viviana ; Pedotti, Mattia ; Chiadò, Alessandro ; Simonelli, Luca ; Calzolai, Luigi ; Varani, Luca ; Lettieri, Teresa

In: Plos one, 2014, vol. 9, no. 7, p. e102658

In this manuscript, we modulate the binding properties of estrogen receptor protein by rationally modifying the amino acid composition of its ligand binding domain. By combining sequence alignment and structural analysis of known estrogen receptor- ligand complexes with computational analysis, we were able to predict estrogen receptor mutants with altered binding properties. These predictions...

Università della Svizzera italiana

Rational engineering of a human anti-dengue antibody through experimentally validated computational docking

Simonelli, Luca ; Pedotti, Mattia ; Beltramello, Martina ; Livoti, Elsa ; Calzolai, Luigi ; Sallusto, Federica ; Lanzavecchia, Antonio ; Varani, Luca

In: Plos one, 2013, vol. 8, no. 2, p. e55561

Antibodies play an increasing pivotal role in both basic research and the biopharmaceutical sector, therefore technology for characterizing and improving their properties through rational engineering is desirable. This is a difficult task thought to require high-resolution x-ray structures, which are not always available. We, instead, use a combination of solution NMR epitope mapping and ...