(Q52010760)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12926005%20AND%20SRC:MED&resulttype=core&format=json

7 November 2019

title

Continuum and discrete calculation of fractional contributions to solvation free energy (English)

1 reference

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7 November 2019

2

1 reference

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7 November 2019

F. Javier Luque

series ordinal

3

1 reference

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7 November 2019

4

Modesto Orozco

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7 November 2019

author name string

Antonio Morreale

series ordinal

1

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7 November 2019

publication date

1 October 2003

1 reference

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Journal of Computational Chemistry

7 November 2019

published in

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7 November 2019

volume

24

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7 November 2019

issue

13

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7 November 2019

page(s)

1610-1623

1 reference

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Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients

7 November 2019

cites work

1 reference

Partition coefficients and their uses

21 January 2018

1 reference

Hydrogen bonding. 32. An analysis of water-octanol and water-alkane partitioning and the delta log P parameter of seiler.

21 January 2018

1 reference

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

21 January 2018

1 reference

Prediction of drug solubility from Monte Carlo simulations.

21 January 2018

1 reference

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

1 reference

21 January 2018

1 reference

Evaluation of dynamic polar molecular surface area as predictor of drug absorption: comparison with other computational and experimental predictors

21 January 2018

1 reference

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

21 January 2018

1 reference

Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

A universal model for the quantum mechanical calculation of free energies of solvation in non-aqueous solvents

21 January 2018

1 reference

Extension of the platform of applicability of the SM5.42R universal solvation model

21 January 2018

1 reference

Theoretical representation of solvent effects in the study of biochemical systems

21 January 2018

1 reference

Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

21 January 2018

1 reference

Simplified descriptions of the topological distribution of hydrophilic/hydrophobic characteristics of molecules

21 January 2018

1 reference

Fractional description of free energies of solvation

21 January 2018

1 reference

A scaled particle theory of aqueous and nonaqueous solutions

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.10323

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12926005%20AND%20SRC:MED&resulttype=core&format=json

journals/jcc/MorrealeGLO03

7 November 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference