implicit solvent model
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Redox Potentials of Polyoxometalates from an Implicit Solvent Model and QM/MM Molecular Dynamics

2020 ◽  
Vol 124 (28) ◽  
pp. 15045-15056
Author(s):  
E. Falbo ◽  
T. J. Penfold
Keyword(s):  
Molecular Dynamics ◽  
Implicit Solvent ◽  
Redox Potentials ◽  
Implicit Solvent Model ◽  
Solvent Model

Stability of membrane-induced self-assemblies of spherical nanoparticles

Soft Matter ◽  
2018 ◽  
Vol 14 (24) ◽  
pp. 5019-5030 ◽  
Author(s):  
Eric J. Spangler ◽  
P. B. Sunil Kumar ◽  
Mohamed Laradji
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Lipid Membranes ◽  
The Self ◽  
Coarse Grained ◽  
Implicit Solvent ◽  
Spherical Nanoparticles ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Dynamics Simulations

The self-assembly of spherical nanoparticles, resulting from their adhesion on tensionless lipid membranes, is investigated through molecular dynamics simulations of a coarse-grained implicit-solvent model for self-assembled lipid membranes.

Origin of the overpotentials for HCOO− and CO formation in the electroreduction of CO2 on Cu(211): the reductive desorption processes decide

2018 ◽  
Vol 20 (8) ◽  
pp. 5756-5765 ◽  
Author(s):  
Ling Liu ◽  
Chungen Liu
Keyword(s):  
Free Energy ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Energy Profiles ◽  
Solvent Model ◽  
Reductive Desorption ◽  
Free Energy Profiles

Potential-related free energy profiles of CO and HCOO− pathways in CO2RR on Cu(211) are computed with implicit solvent model.

scholarly journals Temperature-Dependent Implicit-Solvent Model of Polyethylene Glycol in Aqueous Solution

2017 ◽  
Vol 13 (12) ◽  
pp. 6317-6327 ◽  
Author(s):  
Richard Chudoba ◽  
Jan Heyda ◽  
Joachim Dzubiella
Keyword(s):  
Aqueous Solution ◽  
Polyethylene Glycol ◽  
Implicit Solvent ◽  
Temperature Dependent ◽  
Implicit Solvent Model ◽  
Solvent Model

scholarly journals Optimizing a novel implicit-solvent model in diverse solvent environments

2017 ◽  
Author(s):  
Spencer Matthew Goossens
Keyword(s):  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model

scholarly journals Implicit Solvent Model for Million-Atom Atomistic Simulations: Insights into the Organization of 30-nm Chromatin Fiber

2016 ◽  
Vol 12 (12) ◽  
pp. 5946-5959 ◽  
Author(s):  
Saeed Izadi ◽  
Ramu Anandakrishnan ◽  
Alexey V. Onufriev
Keyword(s):  
Chromatin Fiber ◽  
Atomistic Simulations ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model

Exploring large-scale phenomena in composite membranes through an efficient implicit-solvent model

2016 ◽  
Vol 49 (29) ◽  
pp. 293001 ◽  
Author(s):  
Mohamed Laradji ◽  
P B Sunil Kumar ◽  
Eric J Spangler
Keyword(s):  
Large Scale ◽  
Composite Membranes ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model
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