4D-GRAPHS

BRÁZDIL, Tomáš, David PORTEŠ, Jiří FILIPOVIČ, Jana HOZZOVÁ, Thomas EVANGELIDIS and Konstantinos TRIPSIANES. 4D-GRAPHS. 2021.

Basic information

• Original name: 4D-GRAPHS
• Name in Czech: 4D-GRAPHS
• Authors: BRÁZDIL, Tomáš (203 Czech Republic, guarantor, belonging to the institution), David PORTEŠ (203 Czech Republic, belonging to the institution), Jiří FILIPOVIČ (203 Czech Republic, belonging to the institution), Jana HOZZOVÁ (703 Slovakia, belonging to the institution), Thomas EVANGELIDIS (300 Greece, belonging to the institution) and Konstantinos TRIPSIANES (300 Greece, belonging to the institution).
• Edition: 2021.

Other information

• Original language: English
• Type of outcome: Software
• Field of Study: 10608 Biochemistry and molecular biology
• Country of publisher: Czech Republic
• Confidentiality degree: is not subject to a state or trade secret
• WWW: URL
• RIV identification code: RIV/00216224:14330/21:00121312
• Organization unit: Faculty of Informatics
• Keywords in English: NMR; NOESY; assignment
• Technical parameters: Software je dokončen a uvolněn uživatelům na adrese: https://github.com/4D-GRAPHS/4D-GRAPHS-prototype, kontaktní osoba doc. Brázdil, Botanická 68a, Brno 60200, tel. [phone], e-mail [e-mail]
• Tags: International impact

Abstract

4D-GRAPHS is a software package for fully automated protein backbone N-H and sidechain aliphatic C & H chemical shift assignment from 4D NOESY NMR spectra.

Abstract (in Czech)

4D-GRAPHS je softwareový balík k plně automatickému přiřazení chemických shiftů z 4D NOESY NMR spektra na páteřní N-H a C, H bočních řetězců.

Links

• EF16_013/0001802, research and development project: Name: CERIT Scientific Cloud
• MUNI/G/0739/2017, interní kód MU: Name: Pushing the limits in automated NMR structure determination using a single 4D NOESY spectrum and machine learning methods

Investor: Masaryk University, INTERDISCIPLINARY - Interdisciplinary research projects