Publications 2022

Perspective: a stirring role for metabolism in cells, J.Losa, S. Leupold, D. Alonso‐Martinez, P. Vainikka, S. Thallmair, K.M. Tych, S.J. Marrink, M. Heineman (2022), Molecular Systems Biology 18 (4), e10822. [DOI]

Coarse-graining made easy with the Martini Database Server, C. Hilpert, L. Beranger, P.C.T. Souza, P.A. Vainikka, V. Nieto, S.J. Marrink, L. Monticelli, G. Launay (2022), bioRxiv. [DOI]

Martini 3 Coarse-Grained Force Field for Carbohydrates, F. Grünewald, M.H. Punt, E.E. Jefferys, P.A. Vainikka, M. König, V. Virtanen, T.A. Meyer, W. Pezeshkian, A.J. Gormley, M. Karonen, M.S.P. Sansom, P.C.T. Souza, S.J. Marrink, (2022), JCTC, accepted. [DOI]

Light-Driven Ecological-Evolutionary Dynamics in a Synthetic Replicator System, K. Liu, A. W. P. Blokhuis, C. van Ewijk, A. Kiani, J. Wu, W. H. Roos, S. Otto (2022), ChemRxiv. [DOI]

Out-of-Equilibrium Self-Replication Allows Selection for Dynamic Kinetic Stability in a System of Competing Replicators, B.Liu, J. Wu, M. Geerts, O. Markovitch, C. G. Pappas, K. Liu, S. Otto (2022), Angew. Chem. Int. Ed.,61, e202117605. ACIE “Very Important Paper”. [DOI]

Publications 2021

Martini 3 Coarse-Grained Model for Type III Deep Eutectic Solvents: Thermodynamic, Structural, and Extraction Properties, P. Vainikka, S. Thallmair, P.C.T. Souza, S.J. Marrink (2021), ACS Sustainable Chemistry & Engineering 9 (51), 17338–17350. [DOI]

Minimal Pathway for the Regeneration of Redox Cofactors, M. Partipilo, E.J. Ewins, J. Frallicciardi, T. Robinson, B. Poolman, D.J. Slotboom (2021), JACS Au 1, 12, 2280–2293. [DOI]

Publications 2020

Unidirectional rotating molecular motors dynamically interact with adsorbed proteins to direct the fateof mesenchymal stem cells, Q.Zhou, J. Chen, Y. Luan, P.A. Vainikka, S. Thallmair, S. J. Marrink, B.L. Feringa, P. van Rijn (2020), Sci. Adv., 6: eaay2756. [DOI]