The use of adequate statistics is demonstrated to be an essential prerequisite to derive conclusions on thermodynamics and kinetics from molecular simulations.
Unbiased molecular dynamics simulations reveal the insertion mechanism of the lipidated tail of the matrix domain of HIV-1 Gag into realistic membrane models and show its effect on lipid sorting.
Structural and biochemical analysis of the mechanism of paroxetine binding to the serotonin transporter provides a framework for transporter inhibition and design of small-molecule inhibitors.
Whereas in a paradigmatic structure an SM protein chaperone clamps its client SNARE shut, a second structure demonstrates that an SM protein can also hold its SNARE open to promote assembly.
A new class of fungal hemoproteins is described that emphasizes the versatility of the Sec14-fold for translating binding of chemically distinct ligands to control of diverse sets of cellular activities.
