Theoretical Chemistry

Organisational unit: Division

Recent research outputs

Hydrodynamic trapping measures the interaction between membrane-associated molecules
Victoria Junghans, Jana Hladilkova, Santos, A. M., Mikael Lund, Davis, S. J. & Peter Jönsson, 2018 Dec 1, In : Scientific Reports. 8, 1, 12479

Research output: Contribution to journal › Article

QM/MM study of the reaction mechanism of sulfite oxidase
Octav Caldararu, Feldt, M., Cioloboc, D., Van Severen, M. C., Starke, K., Mata, R. A., Ebbe Nordlander & Ulf Ryde, 2018 Dec 1, In : Scientific Reports. 8, 1, 4684

Research output: Contribution to journal › Article

Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
Octav Caldararu, Olsson, M. A., Majda Misini Ignjatović, Wang, M. & Ulf Ryde, 2018 Sep 10, In : Journal of Computer-Aided Molecular Design.

Research output: Contribution to journal › Article

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Contact information

Sölvegatan 39
Lund
Sweden
  • Fax: +46462228648
  • Phone: +46462221428

Parent unit(s)