(Q57586047)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20087490%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

title

A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides (English)

1 reference

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16 January 2020

author

‪Denis Courtier-Murias

2

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16 January 2020

author name string

Simrath Bhandal

3

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16 January 2020

Shen Zhou

4

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16 January 2020

Abil E Aliev

1

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16 January 2020

language of work or name

English

0 references

publication date

17 December 2009

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16 January 2020

published in

Chemical Communications

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16 January 2020

volume

46

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16 January 2020

issue

5

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16 January 2020

page(s)

695-697

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Strategies and tools for structure determination of natural products using modern methods of NMR spectroscopy

16 January 2020

cites work

1 reference

Choosing the best pulse sequences, acquisition parameters, postacquisition processing strategies, and probes for natural product structure elucidation by NMR spectroscopy.

21 January 2018

1 reference

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

21 January 2018

1 reference

Conformational analysis of L-prolines in water

21 January 2018

1 reference

Quantum mechanical and NMR studies of ring puckering and cis/trans-rotameric interconversion in prolines and hydroxyprolines

21 January 2018

1 reference

Experimental charge density of L-alanyl-L-prolyl-L-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties.

21 January 2018

1 reference

Enhanced sampling of peptide and protein conformations using replica exchange simulations with a peptide backbone biasing-potential.

21 January 2018

1 reference

A Nonlinear Mapping for Data Structure Analysis

21 January 2018

1 reference

Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping

21 January 2018

1 reference

Empirical Comparisons of Models for Chemical-Shift Calculation in Proteins

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1039/B910499B

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20087490%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

1 reference