Development of the first model of a phosphorylated, ATP/Mg2+-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design-Reference-Cited by-同舟云学术

Development of the first model of a phosphorylated, ATP/Mg2+-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design

Published:2017 Issue:46 Volume:19 Page:31177-31185
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Previtali Viola¹²³⁴,Trujillo Cristina¹²³⁴^ORCID,Boisson Jean-Charles⁵⁶⁷⁸,Khartabil Hassan⁹¹⁰¹¹⁸¹²,Hénon Eric¹²¹⁰⁷⁸^ORCID,Rozas Isabel¹²³⁴

Affiliation:

1. School of Chemistry Trinity Biomedical Sciences Institute

2. Trinity College Dublin

3. Dublin 2

4. Ireland

5. CReSTIC, EA 3804

6. Université de Reims Champagne-Ardenne, Moulin de la Housse

7. Reims 51687

8. France

9. Campus Universitaire des Ardennes

10. Université de Reims Champagne-Ardenne

11. 08000 Charleville-Mézières

12. ICMR, UMR CNRS 7312

Abstract

A model of phosphorylated and ATP-containing B-Raf protein kinase is needed as a tool for structure-based design of new allosteric inhibitors, since no crystal structure of such a system has been resolved.

Funder

Irish Research Council

Ministère des Affaires Étrangères

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05038K

Reference57 articles.

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5. Front Matter, in Protein Kinases as Drug Targets , ed. B. Klebl , G. Müller and M. Hamacher , Wiley-VCH Verlag GmbH & Co. KGaA , Weinheim, Germany , 2011

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