R. Desikan

Modeling suggests that multiple immunizations or infections will reveal the benefits of updating SARS-CoV-2 vaccines

The paper models how updating SARS-CoV-2 vaccines could provide benefits through qualitatively different humoral immunity, suggesting a two-dose strategy for vaccine updates and high-risk vaccination.

Evaluating coarse-grained MARTINI force-fields for capturing the ripple phase of lipid membranes

This study evaluates MARTINI force-fields for simulating the ripple phase of lipid membranes, finding that they fail to capture the phase at larger system sizes due to kinetic trapping and require re-parametrization.

Early exposure to broadly neutralizing antibodies may trigger a dynamical switch from progressive disease to lasting control of SHIV infection

This paper models the effects of early bNAb therapy on HIV-1 infection dynamics in macaques, showing it can trigger a switch from progressive disease to lasting viremic control through pleiotropic immune effects.

Assessing the Extent of Structural and Dynamic Modulation of Membrane Lipids due to Pore Forming Toxins: Insights from Molecular Dynamics Simulations

This study uses molecular dynamics simulations to examine how pore-forming toxins affect lipid structure and dynamics in a model membrane, finding short-range perturbations and dynamic heterogeneity.

An In silico Algorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic Interactions

This paper develops an in silico algorithm to identify amino acids stabilizing PFT pores via electrostatic interactions, validated by mutagenesis experiments.

Stochastic simulations show how passive immunization can influence the germinal centre reaction and optimize host humoral responses

This paper uses stochastic simulations to show that passive immunization can bias germinal centre selection towards high-affinity B cells, optimizing host humoral responses through a quality-quantity trade-off.