Solvent models

Known as: Solvent model 
Within the field of computational chemistry, solvent models are a variety of methods to account for the behavior of solvated condensed phases… (More)
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Topic mentions per year

Topic mentions per year

1994-2018
05101519942018

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2017
2017
Solvent excluded surface (SES) is one of the most popular surface definitions in biophysics and molecular biology. In addition to… (More)
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2013
Highly Cited
2013
MOTIVATION Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of… (More)
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2011
2011
A revised and improved version of our efficient polarizable force-field/coarse grained solvent combined approach (Masella, Borgis… (More)
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2011
2011
Discrete nature of water plays critical role in protein folding and thermodynamics. Explicit all-atom modeling of solvent… (More)
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2008
Highly Cited
2008
A new generalized Born model for estimating the free energy of hydration is presented. The new generalized Born/volume integral… (More)
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2004
Highly Cited
2004
We have developed an implicit solvent effective potential (AGBNP) that is suitable for molecular dynamics simulations and high… (More)
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2003
Highly Cited
2003
Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the… (More)
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2001
2001
Solvent effects play a crucial role in mediating the interactions between proteins and their ligands. Implicit solvent models… (More)
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2001
2001
An essential element of implicit solvent models, such as the generalized Born method, is a knowledge of the volume associated… (More)
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1999
1999
A statistical thermodynamic development is given of a new implicit solvent model that avoids the traditional system size… (More)
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