(Q28397929)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

title

Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

computational mathematics

2 March 2020

main subject

0 references

nearest neighbour algorithm

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

author name string

David J Huggins

series ordinal

1

0 references

language of work or name

English

0 references

publication date

5 December 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computational Chemistry

2 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

volume

35

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

issue

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

page(s)

377-385

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril

2 March 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Scalable molecular dynamics with NAMD

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

A general purpose model for the condensed phases of water: TIP4P/2005

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Entropy from state probabilities: hydration entropy of cations

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Benchmarking the thermodynamic analysis of water molecules around a model beta sheet

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Generating Uniform Incremental Grids on SO(3) Using the Hopf Fibration

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluid

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Quaternions in molecular modeling

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Rapid estimation of hydration thermodynamics of macromolecular regions.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4238811

Thermodynamics of buried water clusters at a protein-ligand binding interface

2 June 2018

1 reference

Nearest neighbor estimates of entropy for multivariate circular distributions

21 January 2018

1 reference

Concise formulas for the area and volume of a hyperspherical cap

21 January 2018

1 reference

k-Nearest neighbor based consistent entropy estimation for hyperspherical distributions

21 January 2018

1 reference

Local order, energy, and mobility of water molecules in the hydration shell of small peptides

21 January 2018

1 reference

Structural properties of hydration shell around various conformations of simple polypeptides

21 January 2018

1 reference

Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide

21 January 2018

1 reference

Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces

21 January 2018

1 reference

Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24311273

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/JCC.23504

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

DBLP publication ID

journals/jcc/Huggins14

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json

2 March 2020

PubMed publication ID

24311273

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24311273%20AND%20SRC:MED&resulttype=core&format=json