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.

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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
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article

Clustering-based Method for Constructing the Phase Diagram of the van der Waals Model Fluid

Mateusz Chwastyk, Midhun Mohan Anila, Pham Dinh Quoc Huy
2 citations
Current Protein and Peptide Science
Lipid metabolism and biosynthesis
2.22
article

Clustering-based Method for Constructing the Phase Diagram of the van der Waals Model Fluid

Mateusz Chwastyk, Midhun Mohan Anila, Pham Dinh Quoc Huy
article en
2 citations

Abstract

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.

Current Protein and Peptide ScienceVol. 26(10)
Polish Academy of Sciences (PL)
Openalex Percentile: Top 13%
Lipid metabolism and biosynthesis
2.22
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