Selective Water Transport in an Alanine-Functionalized Metal–Organic Framework: A Computational Study
Open Access
- 21 August 2023
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 127 (34) , 17109-17118
Abstract
No abstract availableFunding Information
- Leverhulme Trust (RPG-2020-055)
This publication has 80 references indexed in Scilit:
- Application of Bader’s atoms in molecules theory to the description of coordination bonds in the complex compounds of Ca2+ and Mg2+ with methylidene rhodanine and its anionRussian Journal of General Chemistry, 2012
- Imidazole‐Quartet Water and Proton Dipolar ChannelsAngewandte Chemie International Edition, 2011
- Molecular Mechanisms of How Mercury Inhibits Water Permeation through Aquaporin-1: Understanding by Molecular Dynamics SimulationBiophysical Journal, 2010
- CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fieldsJournal of Computational Chemistry, 2009
- Mechanism of selectivity in aquaporins and aquaglyceroporinsProceedings of the National Academy of Sciences, 2008
- Water Transport in AQP0 Aquaporin: Molecular Dynamics StudiesJournal of Molecular Biology, 2006
- GROMACS: Fast, flexible, and freeJournal of Computational Chemistry, 2005
- All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B, 1998
- Reconstitution of functional water channels in liposomes containing purified red cell CHIP28 proteinBiochemistry, 1992
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983