Water will find its way: transport through narrow tunnels in hydrolases
Carlos Eduardo Sequeiros-Borja, Bartłomiej Surpeta, Aravind Selvaram Thirunavukarasu…·Jan Brezovský
This study investigates water transport through narrow tunnels in three β-hydrolases using molecular dynamics simulations, revealing that sub-angstrom bottlenecks can facilitate transport with increased hydrogen bonding.