scholarly journals Hydration structure and water exchange kinetics at xenotime–water interfaces: implications for rare earth minerals separation

2020 ◽  
Vol 22 (15) ◽  
pp. 7719-7727 ◽  
Author(s):  
Santanu Roy ◽  
Lili Wu ◽  
Sriram Goverapet Srinivasan ◽  
Andrew G. Stack ◽  
Alexandra Navrotsky ◽  
...  
Keyword(s):  
Free Energy ◽  
Water Exchange ◽  
Marcus Theory ◽  
Water Molecules ◽  
Water Interface ◽  
Solvent Exchange ◽  
Energy Landscapes ◽  
Rare Earth Minerals ◽  
Free Energy Landscapes ◽  
Exchange Kinetics

Multilayering of water molecules at the xenotime–water interface and heterogeneous water exchange timescales between these layers obtained by computing 2D-free energy landscapes and employing Marcus theory of solvent exchange.

scholarly journals Free energy landscapes of sodium ions bound to DMPC–cholesterol membrane surfaces at infinite dilution

2016 ◽  
Vol 18 (13) ◽  
pp. 9036-9041 ◽  
Author(s):  
Jing Yang ◽  
Massimiliano Bonomi ◽  
Carles Calero ◽  
Jordi Martí
Keyword(s):  
Free Energy ◽  
Infinite Dilution ◽  
Sodium Ion ◽  
Water Molecules ◽  
Sodium Ions ◽  
Energy Landscapes ◽  
Membrane Surfaces ◽  
Additional Water ◽  
Free Energy Landscapes ◽  
Typical Configuration

Typical configuration of two DMPC lipids and one cholesterol molecule solvating one sodium ion, together with two additional water molecules.

scholarly journals Distributions of experimental protein structures on coarse-grained free energy landscapes

2015 ◽  
Vol 143 (24) ◽  
pp. 243153 ◽  
Author(s):  
Kannan Sankar ◽  
Jie Liu ◽  
Yuan Wang ◽  
Robert L. Jernigan
Keyword(s):  
Free Energy ◽  
Protein Structures ◽  
Coarse Grained ◽  
Energy Landscapes ◽  
Free Energy Landscapes

Rapid Perturbation of Free-Energy Landscapes: From In Vitro to In Vivo

2012 ◽  
Vol 18 (21) ◽  
pp. 6420-6427 ◽  
Author(s):  
Hannah Gelman ◽  
Max Platkov ◽  
Martin Gruebele
Keyword(s):  
Free Energy ◽  
Energy Landscapes ◽  
Free Energy Landscapes
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