| Literature DB >> 31081563 |
Darren Wragg1, Andreia de Almeida2, Angela Casini1, Stefano Leoni1.
Abstract
Water and glycerol permeation through human AQP3 are described by exploiting advanced metadynamics approaches, which enabled both to explore the free energies involved in pore permeation and to achieve a description of the mechanisms with an atomistic level of detail.Entities:
Keywords: aquaporins; free energy; glycerol; membrane transport; metadynamics; water
Year: 2019 PMID： 31081563 DOI： 10.1002/chem.201902121
Source DB: PubMed Journal: Chemistry ISSN： 0947-6539 Impact factor: 5.236