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How to find us dr. P.C. (Paulo) Telles de Souza

Publications

Martini 3: A general purpose force field for coarse-grained molecular dynamics

Protocol for Simulations of PEGylated Proteins with Martini 3

A molecular view on the escape of lipoplexed DNA from the endosome

Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

Collision Cross Section Calculations Using HPCCS

Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid-liquid extraction

Membrane mediated toppling mechanism of the folate energy coupling factor transporter

Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates

Protein-ligand binding with the coarse-grained Martini model

Titratable Martini model for constant pH simulations

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