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Research within the group is focussed on two main lines, with atomic interactions in relation to biological processes as a common theme:
nucleic acids and their interactions with proteins
peptides and their structure and dynamics
Theoretical and simulation methods give a very detailed description of biomolecular systems which can serve, not only to fill in the gaps between the experiments, but also to provide predictions and suggestions for further studies. By combining molecular dynamics simulations on a series of related systems with experimental studies of basic physical/chemical properties and structural studies new insights in the underlying mechanisms and processes can be obtained. Since most biomolecular reactions take place in an aqueous environment it is also very important to consider the effects of the surroundings, which may be of several kinds: competition for hydrogen bonds, screening of electrostatic interactions or favoring structural arrangements with minimal exposure of hydrophobic groups, to name but a few possibilities
nucleic acids and their interactions with proteins
peptides and their structure and dynamics
Theoretical and simulation methods give a very detailed description of biomolecular systems which can serve, not only to fill in the gaps between the experiments, but also to provide predictions and suggestions for further studies. By combining molecular dynamics simulations on a series of related systems with experimental studies of basic physical/chemical properties and structural studies new insights in the underlying mechanisms and processes can be obtained. Since most biomolecular reactions take place in an aqueous environment it is also very important to consider the effects of the surroundings, which may be of several kinds: competition for hydrogen bonds, screening of electrostatic interactions or favoring structural arrangements with minimal exposure of hydrophobic groups, to name but a few possibilities
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论文共 249 篇作者统计合作学者相似作者
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BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTSno. 2 (2024): 130534-130534
Nature Communicationsno. 1 (2024): 1-14
Journal of chemical theory and computationno. 11 (2023): 3346-3358
Structure (London, England : 1993)no. 5 (2022): 733-742.e7
Social Science Research Networkno. 5 (2022): 733-742.e7
semanticscholar(2020)
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