Atomistic picture of self-assembly dynamics of phenylalanine tripeptide into nanofibres: Hierarchical mechanism and the role of on-pathway water dynamics

Rumela Adhikary; Argha Chakraborty; Sangeeta Das; Avisek Das

doi:10.1039/d5cc03643g

January 1, 2025Chemical Communications

Atomistic picture of self-assembly dynamics of phenylalanine tripeptide into nanofibres: Hierarchical mechanism and the role of on-pathway water dynamics

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Key Points

Self-assembly dynamics of phenylalanine tripeptide lead to nanofibres using atomistic simulations.
Molecular dynamics simulations provide insights into the hierarchical mechanism of assembly with water dynamics.
The study emphasizes the role of on-pathway water dynamics in facilitating the self-assembly process.
Understanding these dynamics may advance our knowledge in the field of molecular self-assembly.

Implication

Molecular dynamics simulation reveals the role of water dynamics in self-assembly of phenylalanine nanofibres, highlighting its hierarchical mechanism.

Abstract

Dynamics of assembly processes is a poorly understood area of the broad field of spontaneous molecular self-assembly. In this paper, we present an all-atom Molecular Dynamics simulation study on the...

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Cite This Study

Adhikary et al. (2025) studied this question.

synapsesocial.com/papers/68d6d8978b2b6861e4c3ed3f https://doi.org/10.1039/d5cc03643g

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Atomistic picture of self-assembly dynamics of phenylalanine tripeptide into nanofibres: Hierarchical mechanism and the role of on-pathway water dynamics

Key Points

Implication

Abstract

Discussion

Cite This Study

Atomistic picture of self-assembly dynamics of phenylalanine tripeptide into nanofibres: Hierarchical mechanism and the role of on-pathway water dynamics

Key Points

Implication

Abstract

Discussion

Cite This Study

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