Suggestions

Du même auteur

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

Archive ouverte | Souza, Paulo | CCSD

International audience

Coacervate formation studied by explicit solvent coarse-grain molecular dynamics with the Martini model

Archive ouverte | Tsanai, Maria | CCSD

International audience. Complex coacervates are liquid–liquid phase separated systems, typically containing oppositely charged polyelectrolytes. They are widely studied for their functional properties as well as the...

Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations

Archive ouverte | Souza, Paulo | CCSD

International audience. Molecular docking is central to rational drug design. Current docking techniques suffer, however, from limitations in protein flexibility and solvation models and by the use of simplified sco...

Chargement des enrichissements...