The automated optimisation of a coarse-grained force field using free energy data

por Caceres-Delpiano, Javier, Wang, Lee-Ping, Essex, Jonathan W.
Publicado 2021

Variations in periplasmic loop interactions determine the pH-dependent activity of the hexameric urea transporter UreI from Helicobacter pylori: a molecular dynamics study

por Cáceres-Delpiano, Javier, Teneb, Jaime, Mansilla, Rodrigo, García, Apolinaria, Salas-Burgos, Alexis
Publicado 2015