(Q44600334)

English

Calculation of the water–cyclohexane transfer free energies of neutral amino acid side‐chain analogs using the OPLS all‐atom force field

scientific article published on November 30, 2003

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scholarly article

1 reference

Europe PubMed Central

4 December 2017

Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field (English)

1 reference

Europe PubMed Central

4 December 2017

Calculation of the water–cyclohexane transfer free energies of neutral amino acid side‐chain analogs using the OPLS all‐atom force field (English)

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

1 reference

based on heuristic

inferred from title

energy transfer

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Europe PubMed Central

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15 March 2024

computational mathematics

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

author name string

Justin L. MacCallum

1

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A14515375

15 March 2024

D. Peter Tieleman

2

1 reference

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15 March 2024

language of work or name

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National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=14515375

15 March 2024

publication date

1 November 2003

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Europe PubMed Central

4 December 2017

30 November 2003

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National Center for Biotechnology Information

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full work available at URL

https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fjcc.10328

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.10328

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Journal of Computational Chemistry

1 reference

Europe PubMed Central

4 December 2017

24

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Europe PubMed Central

4 December 2017

15

1 reference

Europe PubMed Central

4 December 2017

1930-1935

1 reference

Europe PubMed Central

4 December 2017

Calculation of the free energy of solvation for neutral analogs of amino acid side chains

1

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

2

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

4

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Affinities of amino acid side chains for solvent water

10

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Comparing the polarities of the amino acids: side-chain distribution coefficients between the vapor phase, cyclohexane, 1-octanol, and neutral aqueous solution

11

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Comparison of simple potential functions for simulating liquid water

13

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

GROMACS: A message-passing parallel molecular dynamics implementation

17

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

GROMACS 3.0: a package for molecular simulation and trajectory analysis

18

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

A Leap-frog Algorithm for Stochastic Dynamics

19

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Journal of Chemical Physics

20

52

1695

author name string

Berendsen H. J. C.

publication date

1984

1 reference

10.1002/JCC.10328

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15 March 2024

LINCS: A linear constraint solver for molecular simulations

21

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

22

1 reference

10.1002/JCC.10328

https://api.crossref.org/works/10.1002/JCC.10328

15 March 2024

Identifiers

10.1002/JCC.10328

1 reference

Europe PubMed Central

4 December 2017

DBLP publication ID

journals/jcc/MacCallumT03

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

4 December 2017

ResearchGate publication ID

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