(Q46892685)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

title

Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

author name string

Ignacio Soteras

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

publication date

19 March 2010

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

21 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

volume

24

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

issue

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

page(s)

281-291

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1007/s10822-010-9331-y

21 January 2020

exact match

0 references

cites work

A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview

1 reference

12 December 2020

Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges

1 reference

12 December 2020

Towards a tunable tautomeric switch in azobenzene biomimetics: implications for the binding affinity of 2-(4'-hydroxyphenylazo)benzoic acid to streptavidin.

1 reference

12 December 2020

Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model.

1 reference

12 December 2020

Toward accurate relative energy predictions of the bioactive conformation of drugs

1 reference

12 December 2020

Benzoderivatives of nucleic acid bases as modified DNA building blocks.

1 reference

12 December 2020

Quantum mechanical continuum solvation models.

1 reference

12 December 2020

Electrostatic component of solvation: Comparison of SCRF continuum models

1 reference

12 December 2020

On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling".

1 reference

12 December 2020

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

1 reference

12 December 2020

Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening.

1 reference

12 December 2020

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions

1 reference

12 December 2020

Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies.

1 reference

12 December 2020

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

12 December 2020

Unique tautomeric properties of isoguanine

1 reference

12 December 2020

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

1 reference

12 December 2020

Let's not forget tautomers

1 reference

12 December 2020

10.1007/S10822-010-9331-Y

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20300801%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/SoterasOL10

21 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference