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Can I read Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation on EtoBox?
Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation by Gül H. Zerze is a Physics and Astronomy article available to read on EtoBox.
What is Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation about?
Condensation/dissolution has become a widely acknowledged biological macromolecular assembly phenomenon in subcellular compartmentalization. The MARTINI force field offers a coarse-grained protein model with a resolution that preserves molecular details with an explicit (CG) solvent. Despite its relatively higher resolution, it can still achieve condensate formation in a reasonable computing time with explicit solvent and ionic species. Therefore, it is highly desirable to tune this force field to be able to reproduce the experimentally observed properties of the condensate formation. In this work, we studied the condensate formation of the low-sequence complexity domain of fused in sarcoma protein using a MARTINI 3 force field by systematically modifying (increasing) the protein− water interaction strength and varying the salt concentration. We found that the condensate formation is sensitive both to the protein−water interaction strength and the presence of salt. While the unmodified MARTINI force field yields a complete collapse of proteins into one dense phase (i.e., no dilute phase), we reported a range of modified protein−water interaction strength that is capable of capturin
Who reads Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Gül H. Zerze
- Publisher
- American Chemical Society (ACS)
- Published
- 2023
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)