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Journal of the American Chemical Society|July 7, 2011
Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydrationSamuel Genheden, Paulius Mikulskis, LiHong Hu, et al.Journal of Chemical Theory and Computation|December 2, 2015
Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450Patrik Rydberg, Sine Myrup Hansen, Jacob Kongsted, 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 RydeJournal of Computational Chemistry|December 7, 2010
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulationsSamuel Genheden, Ulf RydeJournal of Chemical Theory and Computation|November 25, 2015
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System TruncationSamuel Genheden, Ulf RydeJournal of Chemical Theory and Computation|November 26, 2015
Comparison of Methods to Obtain Force-Field Parameters for Metal SitesLiHong Hu, Ulf RydePageof 47