S. J. Marrink

GoMartini 3: From large conformational changes in proteins to environmental bias corrections

This paper introduces an enhanced G[o]Martini model that improves protein dynamics simulation and addresses inaccuracies in the Martini protein model through diverse case studies.

Probing the stability and interdomain interactions in the ABC transporter OpuA, using single-molecule optical tweezers

The paper uses single-molecule optical tweezers to study the dynamics and interdomain interactions of the ABC transporter OpuA in lipid nanodiscs.

Facilitating CG simulations with MAD: theMArtini Database Server

The paper introduces MAD, a web server for generating and managing coarse-grained molecular models for simulations using the Martini force field.

Membrane thickness, lipid phase and sterol type are determining factors in the permeability of membranes to small solutes

The paper investigates how membrane thickness, lipid phase, and sterol type affect permeability to small solutes using synthetic membranes and simulations, finding that ordered states significantly reduce permeability.

Lipid-protein interactions are unique fingerprints for membrane proteins

The paper uses molecular dynamics simulations to study lipid-protein interactions in membrane proteins, revealing unique lipid environments for each protein.