Marco De Vivo

Role of Molecular Dynamics and Related Methods in Drug Discovery

Marco De Vivo, Matteo Masetti, Giovanni Bottegoni et al. · Journal of Medicinal Chemistry · 2016 · 1.2K citations · Full text

Drug Target, Engineering, Biochemistry +14

Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions

Bernd Ensing, Marco De Vivo, Zhiwei Liu et al. · Accounts of Chemical Research · 2005 · 380 citations

Engineering, Computational Chemistry, Chemistry +17

Phosphodiester Cleavage in Ribonuclease H Occurs via an Associative Two-Metal-Aided Catalytic Mechanism

Marco De Vivo, Matteo Dal Peraro, Michael L. Klein · Journal of the American Chemical Society · 2008 · 146 citations · Full text

Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions

Sebastián Franco-Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore et al. · Nature Communications · 2020 · 95 citations · Full text

Materials Science, Nanoparticles, Colloidal Material +15

Computer-aided design of RNA-targeted small molecules: A growing need in drug discovery

Jacopo Manigrasso, Marco Marcia, Marco De Vivo · Chem · 2021 · 90 citations · Full text

Drug Target, Engineering, Rna Structure Prediction +13