Alessio Amadasi

Robust Classification of “Relevant” Water Molecules in Putative Protein Binding Sites

Alessio Amadasi, J. Andrew Surface, Francesca Spyrakis et al. · Journal of Medicinal Chemistry · 2008 · 90 citations

Mapping the Energetics of Water–Protein and Water–Ligand Interactions with the “Natural” HINT Forcefield: Predictive Tools for Characterizing the Roles of Water in Biomolecules

Alessio Amadasi, Francesca Spyrakis, Pietro Cozzini et al. · Journal of Molecular Biology · 2006 · 85 citations

Engineering, Water–ligand Interactions, Biochemistry +10

Design of <i>O</i>-Acetylserine Sulfhydrylase Inhibitors by Mimicking Nature

Enea Salsi, Alexander S. Bayden, Francesca Spyrakis et al. · Journal of Medicinal Chemistry · 2009 · 84 citations · Full text

Identification of Xenoestrogens in Food Additives by an Integrated in Silico and in Vitro Approach

Alessio Amadasi, Andrea Mozzarelli, Clara Meda et al. · Chemical Research in Toxicology · 2008 · 81 citations · Full text

The consequences of scoring docked ligand conformations using free energy correlations

Francesca Spyrakis, Alessio Amadasi, Micaela Fornabaio et al. · European Journal of Medicinal Chemistry · 2007 · 58 citations

Engineering, Docked Ligand Conformations, Medicine +7