Clustering-based Method for Constructing the Phase Diagram of the van der Waals Model Fluid
We have presented alternative methods for locating phase boundaries in protein solutions, where the absence of a validated equation of state necessitates innovative approaches and makes traditional methods challenging to apply. Our SPACEBALL-based approach enables the creation of phase diagrams using pure trajectories obtained from molecular dynamics simulations.
Authors
- Mateusz Chwastyk (ORCID: https://orcid.org/0000-0003-4054-2632)
- Midhun Mohan Anila (ORCID: https://orcid.org/0000-0002-8084-6828)
- Pham Dinh Quoc Huy (ORCID: https://orcid.org/0000-0002-0641-2490)
Institutions
- Polish Academy of Sciences (PL)
Publication Details
- Journal
- Current Protein and Peptide Science
- Published
- 2025-06-18
- DOI
- https://doi.org/10.2174/0113892037360348250528003832
- Citations
- 2
- Primary Topic
- Lipid metabolism and biosynthesis
- Type
- article
- Field-Weighted Citation Impact
- 2.22