Exploring 2D Graphene‐Based Nanomaterials for Biomedical Applications: A Theoretical Modeling Perspective

Small Science, Год журнала: 2025, Номер unknown

Опубликована: Март 16, 2025

Two‐dimensional (2D) graphene‐based nanomaterials (GNMs) have shown potential in biomedical applications, including diagnostics, therapeutics, and drug delivery, due to their unique combination of properties such as mechanical strength, excellent electrical thermal conductivity well high adsorption capacity which, combined with the ease surface functionalization, enable biocompatibility bioactivity. Theoretical molecular modeling can advance our understanding 2D by providing insights into structure, dynamics, interactions these biological systems, at level detail that experiments alone cannot currently access. This perspective highlights recent computational advances challenges examining physiologically relevant biomolecular aqueous solutions, peptides, proteins, nucleic acids, lipid membranes, pharmaceutical molecules. Examples theoretical contributions design biomaterials devices are also provided.

Язык: Английский

Binding Dynamics and Conformational Stability of Graphene-Based Nanomaterials with Mutant LOX-1: Insights from Molecular Docking and Dynamics Simulations in Atherosclerosis

BioNanoScience, Год журнала: 2024, Номер 15(1)

Опубликована: Дек. 27, 2024

Язык: Английский