3 papers
cond-mat.soft2020
Using Multiscale Molecular Dynamics Simulations to Obtain Insights into Pore Forming Toxin Mechanisms
Rajat Desikan, Amit Behera, Prabal K. Maiti +1
Pore forming toxins (PFTs) are virulent proteins released by several species, including many strains of bacteria, to attack and kill host cells. In this article, we focus on the ut…
cond-mat.soft2020
Influence of Surface Hydrophilicity and Hydration on the Rotational Relaxation of Supercooled Water on Graphene Oxide Surfaces
Rajasekaran M, K. Ganapathy Ayappa
Hydration or interfacial water present in biomolecules and inorganic solids have been shown to exhibit a dynamical transition upon supercooling. However, an understanding of the ex…
cond-mat.soft2020
Dynamical Transitions of Supercooled Water in Graphene oxide Nanopores: Influence of Surface Hydrophobicity
Rajasekaran M, K. Ganapathy Ayappa
Molecular dynamics simulations are carried out to explore the dynamical crossover phenomenon in strongly confined and mildly supercooled water in graphene oxide nanopores. In contr…