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In the Molecular and Cellular Modeling group, our main focus is on proteins and finding out how they interact with their molecular binding partners and function. We develop and apply computational approaches to address questions such as: How do proteins recognize and distinguish their binding partners? How tightly and quickly do they bind? By what mechanisms do they bind? Can binding partners and binding modes be predicted? Our studies are mostly based on the three-dimensional structures of macromolecules. We aim to make concerted use of bioinformatics and physical simulation approaches in order to develop methods for understanding how biomolecules work and for aiding the rational design of therapeutic agents. Techniques cover a wide spectrum from interactive, web-based visualization tools to machine learning to molecular and Brownian dynamics simulations. Applications range from in-depth simulation studies of particular proteins to large-scale computational analysis of protein families.
研究兴趣
论文共 311 篇作者统计合作学者相似作者
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Journal of molecular recognition : JMRno. 3 (2024): e3081-e3081
Philip Weidner, Daniel Saar, Michaela Söhn,Torsten Schroeder,Yanxiong Yu, Frank G. Zöllner,Norbert Ponelies, Xiaobo Zhou, André Zwicky,Florian N. Rohrbacher, Vijaya R. Pattabiraman, Matthias Tanriver,
Cancer Letters (2024): 216783-216783
biorxiv(2024)
MOLECULAR INFORMATICSno. 1 (2024): e202300262-e202300262
Communications chemistryno. 1 (2023): 201-201
PLoS pathogensno. 6 (2023): e1011436-e1011436
引用2浏览0WOS引用
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AKTUELLE KARDIOLOGIEno. 06 (2023): 450-458
Nature communicationsno. 1 (2023): 619-15
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