4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR
structure determination

a 2019

4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination

TRIPSIANES, Konstantinos

Základní údaje

Originální název

4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination

Autoři

TRIPSIANES, Konstantinos (300 Řecko, garant, domácí)

Vydání

EUROISMAR 2019, 2019

Další údaje

Jazyk

angličtina

Typ výsledku

Konferenční abstrakt

Obor

10403 Physical chemistry

Stát vydavatele

Německo

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Kód RIV

RIV/00216224:14740/19:00113366

Organizační jednotka

Středoevropský technologický institut

Klíčová slova anglicky

4D-CHAINS/autoNOE-Rosetta; rapid NMR structure determination

Štítky

rivok

Příznaky

Mezinárodní význam

Změněno: 26. 3. 2020 21:34, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

The automation of NMR structure determination remains a significant bottleneck towards increasing the throughput and accessibility of NMR as a structural biology tool to study proteins. The chief barrier currently is that obtaining NMR assignments at sufficient levels of completeness to accurately define the structures by conventional methods requires a significant amount of spectrometer time (several weeks), and effort by a trained expert (up to several months). We have recently addressed both bottlenecks by presenting a complete pipeline that meets the key objectives of NMR structure determination; minimal data collection, least human intervention, and applicability to large proteins [1]. Key to our approach was the development of 4D-CHAINS algorithm that provides highly accurate and near-complete NMR resonance assignments from only two 4D spectra. In combination with autoNOE-Rosetta, 4D-CHAINS provides a robust approach leveraging a highly automated process to obtain reliable structures in a matter of days [2, 3]. Besides illustrating the merits of our pipeline for timely NMR structural studies, novel concepts in automation will be discussed aiming to harness the powerful advantages of the next-generation NMR spectrometers with magnetic strengths of 1.2 GHz.

Návaznosti

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

TRIPSIANES, Konstantinos. 4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination. In EUROISMAR 2019. 2019.

@proceedings{1639685,
   author = {Tripsianes, Konstantinos},
   booktitle = {EUROISMAR 2019},
   keywords = {4D-CHAINS/autoNOE-Rosetta; rapid NMR structure determination},
   language = {eng},
   title = {4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination},
   url = {https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf},
   year = {2019}
}

TY  - CONF
ID  - 1639685
AU  - Tripsianes, Konstantinos
PY  - 2019
TI  - 4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination
KW  - 4D-CHAINS/autoNOE-Rosetta
KW  - rapid NMR structure determination
UR  - https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf
L2  - https://conference.euroismar2019.org/event/1/contributions/352/contribution.pdf
N2  - The automation of NMR structure determination remains a significant bottleneck towards increasing the throughput and accessibility of NMR as a structural biology tool to study proteins. The chief barrier currently is that obtaining NMR assignments at sufficient levels of completeness to accurately define the structures by conventional methods requires a significant amount of spectrometer time (several weeks), and effort by a trained expert (up to several months). We have recently addressed both bottlenecks by presenting a complete pipeline that meets the key objectives of NMR structure determination; minimal data collection, least human intervention, and applicability to large proteins [1]. Key to our approach was the development of 4D-CHAINS algorithm that provides highly accurate and near-complete NMR resonance assignments from only two 4D spectra. In combination with autoNOE-Rosetta, 4D-CHAINS provides a robust approach leveraging a highly automated process to obtain reliable structures in a matter of days [2, 3]. Besides illustrating the merits of our pipeline for timely NMR structural studies, novel concepts in automation will be discussed aiming to harness the powerful advantages of the next-generation NMR spectrometers with magnetic strengths of 1.2 GHz.
ER  -

TRIPSIANES, Konstantinos. 4D-CHAINS/autoNOE-Rosetta, an automatedpipeline for rapid NMR structure determination. In \textit{EUROISMAR 2019}. 2019.

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