D. Markthaler, H. Kraus, and N. Hansen. Dataset, (2022)Related to: D. Markthaler, H. Kraus, N. Hansen, Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. In: Journal of Computer-Aided Molecular Design (2022). doi: 10.1007/s10822-021-00439-w.
D. Markthaler, and N. Hansen. Dataset, (2021)Related to: D. Markthaler, N. Hansen, Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B. In: Data in Brief (2021), 107618. doi: 10.1016/j.dib.2021.107618.
M. Hörning, A. Schertel, R. Schneider, M. Lemloh, M. Schweikert, and I. Weiss. Dataset, (2019)Related to: Hörning, Marcel; Schertel, Andreas; Schneider, Ralf; Lemloh, Marie-Louise; Schweikert, Michael R.; Weiss, Ingrid M. (2019) "Mineralized scale patterns on the cell periphery of the chrysophyte Mallomonas determined by comparative 3D Cryo-FIB SEM data processing", Journal of Structural Biology, 107403. doi: 10.1016/j.jsb.2019.10.005.