Selected papers

How well does the proprietary lipid force field of Schrödinger, Inc. actually work? Pretty well, if you don’t need divalent ions.

Read all about it: Structure of POPC Lipid Bilayers in OPLS3e Force Field
M. Kurki, A. Poso, P. Bartos, and M. S. Miettinen
Journal of Chemical Information and Modeling
62 6462 (2022)

Phospholipids are quite a bit like hard-core headbangers: No matter what goes on below, the head whirls just the same.

Read all about it: Rotational decoupling between the hydrophilic and hydrophobic regions in lipid membranes
H. S. Antila, A. Wurl, O. H. S. Ollila,
M. S. Miettinen, and T. M. Ferreira
Biophysical Journal
121 68 (2022)

Can you publish a meaningful MD simulation paper without running a single MD simulation? Absolutely!

Read all about it: Using open data to rapidly benchmark biomolecular simulations: Phospholipid conformational dynamics
H. S. Antila, T. M. Ferreira, O. H. S. Ollila, and M. S. Miettinen
Journal of Chemical Information and Modeling
61 938 (2021)