(Q40944130)

25 September 2017

On the temperature dependence of H-U(iso) in the riding hydrogen model (English)

1 reference

25 September 2017

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Simon Grabowsky

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Birger Dittrich

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

7

George M Sheldrick

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

author name string

Jens Lübben

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Christian Volkmann

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Alison Edwards

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

Francesca P A Fabbiani

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

publication date

28 May 2014

1 reference

Acta Crystallographica Section A: Foundations and Advances

25 September 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

volume

70

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

issue

Pt 4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

page(s)

309-316

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

Hirshfeld atom refinement.

11 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Invariom refinement of a new monoclinic solvate of thiostrepton at 0.64 Å resolution

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

25 September 2017

A short history of SHELX

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Introduction and validation of an invariom database for amino-acid, peptide and protein molecules.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Anisotropic displacement parameters for H atoms using an ONIOM approach

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

On QM/MM and MO/MO cluster calculations of all-atom anisotropic displacement parameters for molecules in crystal structures.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Improvement of anisotropic displacement parameters from invariom-model refinements for three L-hydroxylysine structures.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

The generalized invariom database (GID).

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

A simple approach to nonspherical electron densities by using invarioms.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

The invariom model and its application: refinement of D,L-serine at different temperatures and resolution.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

Transferability of multipole charge-density parameters: application to very high resolution oligopeptide and protein structures.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

An improved experimental databank of transferable multipolar atom models – ELMAM2. Construction details and applications

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4075069

New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011--towards nucleic acid modelling

2 December 2018

1 reference

12 December 2020

Hirshfeld atom refinement for modelling strong hydrogen bonds

1 reference

12 December 2020

On the differences between X-ray and neutron thermal vibration parameters

1 reference

12 December 2020

Dynamics of molecules in crystals from multi-temperature anisotropic displacement parameters. I. theory

1 reference

12 December 2020

X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations

1 reference

12 December 2020

10.1107/S2053273314010626

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json

11 June 2020

PubMed publication ID

25970187

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25970187%20AND%20SRC:MED&resulttype=core&format=json