(Q35979790)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

31 March 2020

title

Expanding DP4: application to drug compounds and automation (English)

1 reference

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31 March 2020

0 references

1

1 reference

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31 March 2020

Jonathan M. Goodman

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

31 March 2020

author name string

Kevin E B Parkes

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

31 March 2020

Tatiana Agback

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

31 March 2020

publication date

5 April 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

Organic and Biomolecular Chemistry

31 March 2020

published in

1 reference

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31 March 2020

volume

14

1 reference

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31 March 2020

issue

16

1 reference

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31 March 2020

page(s)

3943-3949

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry

31 March 2020

cites work

1 reference

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Walking in the woods with quantum chemistry--applications of quantum chemical calculations in natural products research

21 January 2018

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Assigning the stereochemistry of pairs of diastereoisomers using GIAO NMR shift calculation.

21 January 2018

1 reference

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Stereochemical determination of five-membered cyclic ether acetogenins using a spin-spin coupling constant approach and DFT calculations

21 January 2018

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Absolute configuration of amphidinin A.

21 January 2018

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Belizentrin, a highly bioactive macrocycle from the dinoflagellate Prorocentrum belizeanum.

21 January 2018

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Case study of empirical and computational chemical shift analyses: reassignment of the relative configuration of phomopsichalasin to that of diaporthichalasin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Gambierone, a Ladder-Shaped Polyether from the Dinoflagellate Gambierdiscus belizeanus

21 January 2018

1 reference

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Strength by joining methods: combining synthesis with NMR, IR, and vibrational circular dichroism spectroscopy for the determination of the relative configuration in hemicalide

21 January 2018

1 reference

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Structure reassignment of laurefurenynes A and B by computation and total synthesis

21 January 2018

1 reference

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Leiodermatolide, a potent antimitotic macrolide from the marine sponge Leiodermatium sp.

21 January 2018

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Synthesis of the C1-C11 western fragment of madeirolide A.

21 January 2018

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Cytotoxic activity of rearranged drimane meroterpenoids against colon cancer cells via down-regulation of β-catenin expression.

21 January 2018

1 reference

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Prediction of the structure of nobilisitine a using computed NMR chemical shifts

21 January 2018

1 reference

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Stereochemistry of complex marine natural products by quantum mechanical calculations of NMR chemical shifts: solvent and conformational effects on okadaic acid

21 January 2018

1 reference

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Oxasqualenoids from Laurencia viridis: Combined Spectroscopic-Computational Analysis and Antifouling Potential

21 January 2018

1 reference

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Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts

21 January 2018

1 reference

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The first cyclomegastigmane rhododendroside A from Rhododendron brachycarpum alleviates HMGB1-induced sepsis

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Assignment of absolute configuration of 8α-hydroxy-13-hydroperoxylabd-14,17-dien-19,16;23,6α-diolide by computed NMR chemical shifts

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Thelepamide: an unprecedented ketide-amino acid from Thelepus crispus, a marine annelid worm

21 January 2018

1 reference

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First natural analogs of the cytotoxic thiodepsipeptide thiocoraline A from a marine Verrucosispora sp.

21 January 2018

1 reference

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Total Syntheses of Proposed (±)-Trichodermatides B and C.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Trikentramides A-D, indole alkaloids from the Australian sponge Trikentrion flabelliforme.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

13C NMR analysis of 3,6-dihydro-2H-pyrans: assignment of remote stereochemistry using axial shielding effects.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Total synthesis of jiadifenolide

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

An efficient newton-like method for molecular mechanics energy minimization of large molecules

21 January 2018

1 reference

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Algorithm for exhaustive and nonredundant organic stereoisomer generation

21 January 2018

1 reference

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InChI - the worldwide chemical structure identifier standard

21 January 2018

1 reference

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Open Babel: An open chemical toolbox

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC6OB00015K

21 January 2018

Identifiers

DOI

10.1039/C6OB00015K

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27045792%20AND%20SRC:MED&resulttype=core&format=json

31 March 2020

1 reference