Molecular simulations explain the effects of the p.(L2026M+G2032R) double mutation in ROS1 on targeted TKI treatment

Christa Dijkhuizen; Patrick  Korthuis; Lyndsay Drayer; Margot De Looff; Fin Milder; Anke van den Berg; Anthonie van der Wekken; Tsjerk Wassenaar

Molecular simulations explain the effects of the p.(L2026M+G2032R) double mutation in ROS1 on targeted TKI treatment

Christa Dijkhuizen (First author)
, Patrick Korthuis
, Lyndsay Drayer
, Margot De Looff
, Fin Milder
, Anke van den Berg
, Anthonie van der Wekken
, Tsjerk Wassenaar

Biomolecules & Health

University of Groningen, University Medical Center Groningen, Department of Pulmonology
University of Groningen, University Medical Center Groningen, Department of Pathology and Medical Biology
University of Groningen, Faculty of Science and Engineering, Molecular Dynamics — Groningen Biomolecular Sciences and Biotechnology

Research output: Contribution to conference › Abstract › Academic

Original language	English
Number of pages	1
Publication status	Submitted - 26 Aug 2025
Event	EMBL Heidelberg EMBO Computational Structural Biology - Heidelberg, Germany Duration: 2 Dec 2025 → 5 Dec 2025

Conference

Conference	EMBL Heidelberg EMBO Computational Structural Biology
Abbreviated title	EMBL 2025
Country/Territory	Germany
City	Heidelberg
Period	2/12/25 → 5/12/25

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 03 Good Health and Well-being

Keywords

ROS1
ROS1 inhibitors
molecular dynamics simulation
Principal Component Analysis

Research Focus Areas Hanze University of Applied Sciences * (mandatory by Hanze)

Healthy Ageing

Research Focus Areas Research Centre or Centre of Expertise * (mandatory by Hanze)

Medical Diagnostics & Point of Care Testing
Healthcare & Biotechnology

Publinova themes

Health

Cite this

@conference{26f90e3200db4910ab22d09ca468af57,

title = "Molecular simulations explain the effects of the p.(L2026M+G2032R) double mutation in ROS1 on targeted TKI treatment",

keywords = "ROS1-remmers, moleculaire dynamica simulatie, principale-componentenanalyse, ROS1, ROS1 inhibitors, molecular dynamics simulation, Principal Component Analysis",

author = "Christa Dijkhuizen and Patrick Korthuis and Lyndsay Drayer and \{De Looff\}, Margot and Fin Milder and \{van den Berg\}, Anke and \{van der Wekken\}, Anthonie and Tsjerk Wassenaar",

year = "2025",

month = aug,

day = "26",

language = "English",

note = "EMBL Heidelberg EMBO Computational Structural Biology ; Conference date: 02-12-2025 Through 05-12-2025",

}

TY - CONF

T1 - Molecular simulations explain the effects of the p.(L2026M+G2032R) double mutation in ROS1 on targeted TKI treatment

AU - Dijkhuizen, Christa

AU - Korthuis, Patrick

AU - Drayer, Lyndsay

AU - De Looff, Margot

AU - Milder, Fin

AU - van den Berg, Anke

AU - van der Wekken, Anthonie

AU - Wassenaar, Tsjerk

PY - 2025/8/26

Y1 - 2025/8/26

KW - ROS1-remmers

KW - moleculaire dynamica simulatie

KW - principale-componentenanalyse

KW - ROS1

KW - ROS1 inhibitors

KW - molecular dynamics simulation

KW - Principal Component Analysis

M3 - Abstract

T2 - EMBL Heidelberg EMBO Computational Structural Biology

Y2 - 2 December 2025 through 5 December 2025

ER -