K. G. Ayappa

This study investigates how cardiolipin affects the folding and membrane disruption of the antimicrobial peptide CM15 using simulations and experiments.

This study compares membrane properties and small molecule interactions in three Gram-positive bacteria, finding conserved membrane characteristics despite compositional differences.

This study shows stearic acid increases membrane fluidity and peptidoglycan stiffness in Gram-positive bacteria, enhancing their viability.

This study shows that host sphingomyelin and cholesterol act as a lipid chaperone to facilitate the conformational changes of the bacterial toxin Cytolysin A, enabling pore formation.

This study shows that oxysterol accumulation in aged cells disrupts CXCR4 signaling by altering G-protein coupling specificity.

This study investigates how surfactants interact with bacterial cell walls and membranes, showing that laurate is more effective than oleate in disrupting bacterial membranes and inducing aggregation.

This study uses molecular dynamics simulations to compare antimicrobial interactions with Gram-negative and Gram-positive bacterial cell walls, finding differences in binding depth and translocation properties.

This study uses molecular dynamics simulations to analyze the translocation mechanism of the antimicrobial peptide CM15 across the outer membrane of E. coli, revealing key structural and energetic features of the process.

This study uses kinetic Monte Carlo simulations to model mitochondrial dynamics in fission yeast cells, showing that coupling microtubule dynamics improves predictions of mitochondrial number and size distributions.

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.

This study investigates how bacterial pore-forming proteins alter lipid dynamics through ejection and crowding, revealing non-monotonic changes in diffusion and mechanical properties.

This paper develops a coarse-grained MARTINI model for peptidoglycan and evaluates its mechanical properties and free energy barriers for small molecule insertion.

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.