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Implicit solvation
Known as:
Continuum solvation
, Continuum solvent
, Generalized Born
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Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual “explicit…
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Related topics
Related topics
23 relations
Abalone
Accessible surface area
CHARMM
Comparison of nucleic acid simulation software
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Broader (2)
Computational chemistry
Molecular modelling
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Review
2017
Review
2017
972 B 2 160000 120000 Glucose Solvent d 1 120000 2 Fructose 2 : 80000
Inas M. Al Nashef
2017
Corpus ID: 73691399
Kirk-Othmer Encylcopedia of Chemical Technology, "Extraction, Liquid-Liquid” (Jun. 2007), pp. 1-62.* Forsyth et al., “Ionic…
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2014
2014
The coarse-grained HiRE-RNA model for de novo calculations of RNA free energy surfaces, folding pathways and complex structure prediction
T. Cragnolini
,
Yoann Laurin
,
P. Derreumaux
,
S. Pasquali
2014
Corpus ID: 9386544
HiRE-RNA is a simplified, coarse-grained RNA model for the prediction of equilibrium configurations, dynamics and thermodynamics…
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2013
2013
Molecular Dynamics Simulations of the Hydration of Mg ( II ) and Zn ( II ) Ions
S. Riahi
,
B. Roux
,
Christopher N. Rowley
2013
Corpus ID: 34807012
The hydration of Mg and Zn is examined using molecular dynamics simulations using three computational approaches of increasing…
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2009
2009
Design of Copolymers with Tunable Randomness Using Discontinuous Molecular Dynamics Simulation
L. Strickland
,
C. Hall
,
J. Genzer
2009
Corpus ID: 98577548
We present the results of discontinuous molecular dynamics simulations of a “coloring” reaction performed on A-type homopolymers…
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2007
2007
Exploring energy landscapes with explicit and implicit water
D. Wales
2007
Corpus ID: 215981335
2001
2001
PREFERENTIAL SOLVATION OF AMIDES BY METHANOL - A COMPARISON OF MOLECULAR DYNAMICS CALCULATIONS WITH THE EXPERIMENTAL DATA
J. Zielkiewicz
2001
Corpus ID: 94430723
Using the Kirkwood-Bu theory of solutions, the preferential solvation of the N-methylacet- amide (NMA), N-methylformamide, (NMF…
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1997
1997
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale
A. Katritzky
,
Lan Mu
,
M. Karelson
Journal of chemical information and computer…
1997
Corpus ID: 287670
A three-parameter QSPR equation with R2 = 0.936 was developed for the unified nonspecific solvent polarity scale (S‘) on the…
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1997
1997
Ultrafast solvation dynamics explored by nonlinear optical spectroscopy
W. P. de Boeij
,
D. Wiersma
1997
Corpus ID: 4818128
Chemical reaction dynamics and chemical rate processes in the liquid phase are intimately connected to the specific interaction…
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1994
1994
Internal geometry, general covariance and generalized born-infeld models. I: Scalar fields
J. Sławianowski
1994
Corpus ID: 123940893
1982
1982
The role of solvent reorganization in proton transfer and nucleophilic addition reactions
C. F. Bernasconi
1982
Corpus ID: 29286538
Abstract