Drug permeability prediction using PMF method (Q39252509)

10 September 2017

title

Drug permeability prediction using PMF method (English)

1 reference

10 September 2017

Fancui Meng

1

1 reference

10 September 2017

Weiren Xu

series ordinal

2

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10 September 2017

publication date

27 October 2012

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Journal of Molecular Modeling

10 September 2017

published in

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10 September 2017

volume

19

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10 September 2017

issue

3

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10 September 2017

page(s)

991-997

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Studies of intestinal permeability of 36 flavonoids using Caco-2 cell monolayer model

10 September 2017

cites work

1 reference

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In silico prediction of drug permeability across buccal mucosa.

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Computational model for predicting chemical substituent effects on passive drug permeability across parallel artificial membranes

21 January 2018

1 reference

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Prediction of the in vitro permeability determined in Caco-2 cells by using artificial neural networks.

21 January 2018

1 reference

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Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides

21 January 2018

1 reference

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Modeling the pharmacodynamics of passive membrane permeability

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21 January 2018

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Distribution of amino acids in a lipid bilayer from computer simulations.

21 January 2018

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21 January 2018

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21 January 2018

1 reference

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Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature

21 January 2018

1 reference

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Partitioning of 2,6-Bis(1H-Benzimidazol-2-yl)pyridine fluorophore into a phospholipid bilayer: complementary use of fluorescence quenching studies and molecular dynamics simulations

21 January 2018

1 reference

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Estimating human drug oral absorption kinetics from Caco-2 permeability using an absorption-disposition model: model development and evaluation and derivation of analytical solutions for k(a) and F(a).

21 January 2018

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Convergence of Free Energy Profile of Coumarin in Lipid Bilayer

21 January 2018

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Molecular dynamics simulations of model trans-membrane peptides in lipid bilayers: a systematic investigation of hydrophobic mismatch

21 January 2018

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Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion

21 January 2018

1 reference

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Theoretical calculation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics

21 January 2018

1 reference

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PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23104229

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The barrier domain for solute permeation varies with lipid bilayer phase structure

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23104229

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S00894-012-1655-1

1 reference

release_2esvcdsi75bbjbjzr3hry672ia

10 September 2017

Fatcat ID

0 references

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