Implicit solvation

Known as: Continuum solvation, Continuum solvent, Generalized Born 
Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual “explicit… (More)
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Topic mentions per year

1992-2018
0204019922018

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2013
2013
Implicit solvent models are popular for their high computational efficiency and simplicity over explicit solvent models and are… (More)
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2011
2011
Molecular docking plays an important role in drug discovery as a tool for the structure-based design of small organic ligands for… (More)
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2009
2009
  • Bo Li
  • SIAM J. Math. Analysis
  • 2009
In an implicit-solvent description of the solvation of charged molecules (solutes), the electrostatic free energy is a functional… (More)
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2008
2008
Small oligomers formed early in the process of amyloid fibril formation may be the major toxic species in Alzheimer's disease. We… (More)
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Highly Cited
2006
Highly Cited
2006
This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular… (More)
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Highly Cited
2004
Highly Cited
2004
This study compares generalized Born (GB) and Poisson (PB) methods for calculating electrostatic solvation energies of proteins… (More)
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Highly Cited
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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2002
2002
A combined approach to study reactions in solution in which the solute and a number of solvent molecules are described with a… (More)
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Highly Cited
2002
Highly Cited
2002
The MM-PBSA (Molecular Mechanics-Poisson-Boltzmann surface area) method was applied to the human Growth Hormone (hGH) complexed… (More)
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Highly Cited
2000
Highly Cited
2000
The analytic generalized Born approximation is an efficient electrostatic model that describes molecules in solution. Here it is… (More)
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