(Q40262320)

19 September 2017

Accurate Molecular Polarizabilities Based on Continuum Electrostatics (English)

1 reference

19 September 2017

2

Anthony Nicholls

1 reference

19 September 2017

Jean-François Truchon

1

1 reference

19 September 2017

Radu I Iftimie

3

1 reference

19 September 2017

Benoît Roux

4

1 reference

19 September 2017

Christopher I Bayly

5

1 reference

19 September 2017

1 September 2008

1 reference

Journal of Chemical Theory and Computation

19 September 2017

1 reference

19 September 2017

4

1 reference

19 September 2017

9

1 reference

19 September 2017

1480-1493

1 reference

The Effect of Polarizability for Understanding the Molecular Structure of Aqueous Interfaces

19 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Understanding the dielectric properties of liquid amides from a polarizable force field.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Gaussian induced dipole polarization model

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Energetics of ion conduction through the gramicidin channel

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Classical electrostatics in biology and chemistry

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Prediction of pH-dependent properties of proteins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Continuum treatment of electronic polarization effect

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

On the transferability of hydration‐parametrized continuum electrostatics models to solvated binding calculations

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3640596

Polarizability and second hyperpolarizability evaluation of long molecules by the density functional theory with long-range correction

20 August 2018

1 reference

12 December 2020

The polarizability of point-polarizable water models: density functional theory/molecular mechanics results

1 reference

12 December 2020

Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field

1 reference

12 December 2020

Excitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional

1 reference

12 December 2020

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

SMILES. 3. DEPICT. Graphical depiction of chemical structures

11 September 2021

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00067A005

31 October 2021

Identifiers

DOI

10.1021/CT800123C

1 reference

19 September 2017

1 reference

19 September 2017

PubMed publication ID

23646034

1 reference