(Q45127740)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21544841%20AND%20SRC:MED&resulttype=core&format=json

30 January 2020

title

Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent model (English)

1 reference

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30 January 2020

0 references

1

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30 January 2020

author name string

Jason A Wallace

series ordinal

2

1 reference

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30 January 2020

Peter H Koenig

series ordinal

3

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30 January 2020

Jana K Shen

series ordinal

4

1 reference

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30 January 2020

publication date

4 May 2011

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Journal of Computational Chemistry

30 January 2020

published in

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30 January 2020

volume

32

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30 January 2020

issue

11

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30 January 2020

page(s)

2348-2358

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Molecular dynamics simulation of interactions between a sodium dodecyl sulfate micelle and a poly(ethylene oxide) polymer

30 January 2020

cites work

1 reference

Molecular dynamics simulation of self-assembly of n-decyltrimethylammonium bromide micelles

21 January 2018

1 reference

Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 2. Implementation

21 January 2018

1 reference

Ionic surfactant aggregates in saline solutions: sodium dodecyl sulfate (SDS) in the presence of excess sodium chloride (NaCl) or calcium chloride (CaCl(2)).

21 January 2018

1 reference

Luminescent probes for detergent solutions. A simple procedure for determination of the mean aggregation number of micelles

21 January 2018

1 reference

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

21 January 2018

1 reference

Recent advances in implicit solvent-based methods for biomolecular simulations

21 January 2018

1 reference

Constant pH molecular dynamics with proton tautomerism

21 January 2018

1 reference

Generalized born model with a simple smoothing function.

21 January 2018

1 reference

Exploring atomistic details of pH-dependent peptide folding

21 January 2018

1 reference

Linking folding with aggregation in Alzheimer's beta-amyloid peptides

21 January 2018

1 reference

Toward the accurate first-principles prediction of ionization equilibria in proteins.

21 January 2018

1 reference

Predicting pKa values with continuous constant pH molecular dynamics

21 January 2018

1 reference

Effective Born radii in the generalized Born approximation: the importance of being perfect

21 January 2018

1 reference

Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties.

21 January 2018

1 reference

An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins

21 January 2018

1 reference

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.

21 January 2018

1 reference

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.

21 January 2018

1 reference

Interfaces and the driving force of hydrophobic assembly

21 January 2018

1 reference

Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms

21 January 2018

1 reference

Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.

21 January 2018

1 reference

Water partitioning in "dry" poly(ethylene oxide) alcohol (CmEn) nonionic surfactant--a proton NMR study

21 January 2018

1 reference

Uncovering Specific Electrostatic Interactions in the Denatured States of Proteins

21 January 2018

1 reference

Unfolded-state dynamics and structure of protein L characterized by simulation and experiment

21 January 2018

1 reference

Probing the strand orientation and registry alignment in the propagation of amyloid fibrils

21 January 2018

1 reference

The AGBNP2 Implicit Solvation Model.

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.21813

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21544841%20AND%20SRC:MED&resulttype=core&format=json

30 January 2020

DBLP publication ID

journals/jcc/WangWKS11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference