Martini lover.
Shaken, stirred, or self-assembled.
https://cgmartini.nl/
Siewert-Jan Marrink
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Multivalent interactions and emergent properties of biomolecular conde… www.sciencedirect.com/science/arti...
New study shows antibodies need a strong core — not just grip — to fight SARS-CoV-2 | EurekAlert!
Proudly presenting work from my student Liguo Wang, who systematically compared condensates formed by full-length MDPs to IDR-only systems.
Another interesting paper from Liguo Wang, now online at JACS:
Siewert-Jan Marrink
Metabolites are ubiquitous in all living cells and are essential mediators of biochemical processes, serving either as substrates or as cofactors to enable reactions. Capturing this diversity in compu...
Perfluoroalkyl substances (PFAS) are a family of over seven million chemicals found in a vast number of industrial and consumer applications. Often referred to as the “forever chemicals,” they have ga...
Torsional parametrization remains one of the most persistent challenges and weaknesses of modern force fields, particularly for dihedrals whose asymmetry and multimodality evade traditional Fourier or...
An international team led by Dr. Adolfo Poma (IPPT PAN, Poland) shows that antibody effectiveness depends not only on binding strength but also on their stability under mechanical forces. The findings...
Coarse-graining (CG) reduces molecular details to extend the time and length scales of molecular dynamics simulations to microseconds and micrometers. However, the CG approaches have long been limited...
pubs.acs.org
Lipopolysaccharides (LPS), as critical components of the outer membrane (OM) of Gram-negative bacteria, play essential roles in maintaining bacterial integrity and mediating environmental interactions...
RNA–RNA interactions drive the formation of biomolecular condensates via liquid–liquid phase separation (LLPS), but their underlying molecular mechanisms remain poorly understood. Here, we employ Mart...
Biomolecular condensates organize cellular biochemistry not only by passive concentration modulation of molecules but also by potentially remodeling client protein conformations. However, the systematic principles governing such conformational editing are unknown. Here, we use coarse-grained simulations to demonstrate that diverse condensate environments remodel disordered client proteins in a scaffold-specific manner. Additionally, we explore the factors of this remodeling, establishing that the linear patterning of scaffold interaction motifs along sequence (sticker clustering) plays an important role, whereas an increased scaffold chain length primarily slows client dynamics while leaving their sequence-specific intrachain contact patterns largely preserved. This conformational remodeling is mediated by varied and nonuniform client–condensate interaction maps that are not solely encoded by primary sequence grammar but are cooperatively shaped by the emergent condensate architecture. Our work reveals that condensates function as sophisticated regulators of recruited disordered client conformation, with broad implications for cellular regulation and therapeutic intervention.
