(Q48126779)

25 June 2018

title

Large-scale NMR simulations in liquid state: A tutorial (English)

1 reference

25 June 2018

author

Ilya Kuprov

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

author name string

Ilya Kuprov

series ordinal

1

1 reference

25 June 2018

publication date

27 November 2017

1 reference

25 June 2018

Magnetic Resonance in Chemistry

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

volume

56

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

page(s)

415-437

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

Fokker-Planck formalism in magnetic resonance simulations

12 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=6001792

Computer-intensive simulation of solid-state NMR experiments using SIMPSON.

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

A standard format and a graphical user interface for spin system specification

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Destination state screening of active spaces in spin dynamics simulations

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Spinach--a software library for simulation of spin dynamics in large spin systems.

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Defining the sampling space in multidimensional NMR experiments: what should the maximum sampling time be?

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

SIMPLTN, a Program for the Simulation of Pulse NMR Spectra

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

A two-dimensional nuclear Overhauser enhancement (2D NOE) experiment for the elucidation of complete proton-proton cross-relaxation networks in biological macromolecules

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories.

30 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Quantum mechanical NMR simulation algorithm for protein-size spin systems.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

On the accuracy of the state space restriction approximation for spin dynamics simulations.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Diagonalization-free implementation of spin relaxation theory for large spin systems.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Strategies for state space restriction in densely coupled spin systems with applications to spin chemistry.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Polynomially scaling spin dynamics II: further state-space compression using Krylov subspace techniques and zero track elimination.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

Polynomially scaling spin dynamics simulation algorithm based on adaptive state-space restriction.

14 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=6001792

A Simplex Method for Function Minimization

14 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FMRC.4660

On the limited memory BFGS method for large scale optimization

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FMRC.4660

Steady state in magnetic resonance pulse experiments

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28873503

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Formal theory of spin--lattice relaxation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28873503

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/MRC.4660

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28873503%20AND%20SRC:MED&resulttype=core&format=json

12 June 2020

PubMed publication ID

28873503

1 reference