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Journal of Inorganic Biochemistry|September 1, 2004
Protonation status of metal-bound ligands can be determined by quantum refinementKristina Nilsson, Ulf RydeJournal of the American Chemical Society|November 20, 2003
Quantum chemistry can locally improve protein crystal structuresUlf Ryde, Kristina NilssonJournal of Computational Chemistry|July 13, 2002
Quantum chemical geometry optimizations in proteins using crystallographic raw dataUlf Ryde, Lars Olsen, Kristina NilssonActa Crystallographica. Section D, Biological Crystallography|January 30, 2003
An automatic method to generate force-field parameters for hetero-compoundsKristina Nilsson, David Lecerof, Emma Sigfridsson, et al.Biophysical Journal|September 2, 2004
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: quantum refinementKristina Nilsson, Hans-Petter Hersleth, Thomas H Rod, et al.Dalton Transactions (Cambridge, England : 2003)|February 3, 2007
Accurate metal-site structures in proteins obtained by combining experimental data and quantum chemistryUlf RydeCurrent Opinion in Chemical Biology|January 28, 2003
Combined quantum and molecular mechanics calculations on metalloproteinsUlf RydeJournal of Chemical Theory and Computation|October 13, 2017
How Many Conformations Need To Be Sampled To Obtain Converged QM/MM Energies? The Curse of Exponential AveragingUlf RydeJournal of Chemical Theory and Computation|July 13, 2021
On the Use of Interaction Entropy and Related Methods to Estimate Binding EntropiesVilhelm Ekberg, Ulf RydeJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|February 18, 2003
The importance of porphyrin distortions for the ferrochelatase reactionEmma Sigfridsson, Ulf RydePageof 36