Conformational changes in the epidermal growth factor receptor: role of the transmembrane domain investigated by Coarse-Grained metadynamics free energy calculations por Sansom, M, Lelimousin, M, Limongelli, V

Gating-like motions and wall porosity in a DNA nanopore scaffold revealed by molecular simulations por Sansom, M, Maingi, V, Lelimousin, M, Howorka, S

Interfacial activation of M37 lipase: a multi-scale simulation study por Willems, N, Lelimousin, M, Koldsø, H, Sansom, M

In Silico Studies of Asymmetric Membranes Perturbations Caused by Dynamic Aggregation of a Cell-Penetrating Peptide por Helie, J, Lelimousin, M, Deane, C, Milletti, F, Sansom, M

Interactions of Two Amphipathic Cell-Penetrating Peptides with Complex Model Membranes: Insights from Molecular Dynamics Simulations por Helie, J, Milletti, F, Lelimousin, M, Deane, C, Sansom, M

The effect of mutations in the lid region of Thermomyces lanuginosus lipase on interactions with triglyceride surfaces: a multi-scale simulation study por Willems, N, Lelimousin, M, Skjold-Jorgensen, J, Svendsen, A, Sansom, M

Biomimetic phospholipid membrane organization on graphene and graphene oxide surfaces: A molecular dynamics simulation study por Willems, N, Urtizberea, A, Verre, A, Iliut, M, Lelimousin, M, Hirtz, M, Vijayaraghavan, A, Sansom, M