most citedMolecular dynamics without molecules: searching the conformational space of proteins with generative neural networks

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

q-bio.QM2022★ 1 cited

Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks

Gregory Schwing, Luigi L. Palese, Ariel Fernández +2

All-atom and coarse-grained molecular dynamics are two widely used computational tools to study the conformational states of proteins. Yet, these two simulation methods suffer from…

cond-mat.soft2011

Finding a unifying motif of intermolecular cooperativity in protein associations

Sebastián R. Accordino, J. Ariel Rodriguez-Fris, Gustavo A. Appignanesi +1

At the molecular level, most biological processes entail protein associations which in turn rely on a small fraction of interfacial residues called hot spots. Here we show that hot…