Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values von Søndergaard, Chresten R, Olsson, Mats H M, Rostkowski, Michał, Jensen, Jan H

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Frozen Density Functional Free Energy Simulations of Redox Proteins:  Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin von Olsson, Mats H. M, Hong, Gongyi, Warshel, Arieh

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Electrostatic Basis for Enzyme Catalysis von Warshel, Arieh, Sharma, Pankaz K, Kato, Mitsunori, Xiang, Yun, Liu, Hanbin, Olsson, Mats H. M

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Dynamical Contributions to Enzyme Catalysis:  Critical Tests of A Popular Hypothesis von Olsson, Mats H. M, Parson, William W, Warshel, Arieh

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Simulation of Tunneling in Enzyme Catalysis by Combining a Biased Propagation Approach and the Quantum Classical Path Method:  Application to Lipoxygenase von Mavri, Janez, Liu, Hanbin, Olsson, Mats H. M, Warshel, Arieh

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Graphical analysis of pH-dependent properties of proteins predicted using PROPKA von Rostkowski, Michał, Olsson, Mats H M, Søndergaard, Chresten R, Jensen, Jan H

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Protein electrostatics and pKa blind predictions; contribution from empirical predictions of internal ionizable residues von Olsson, Mats H. M.

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PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pK a Predictions von Olsson, Mats H. M, Søndergaard, Chresten R, Rostkowski, Michal, Jensen, Jan H

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Simulations of the Large Kinetic Isotope Effect and the Temperature Dependence of the Hydrogen Atom Transfer in Lipoxygenase von Olsson, Mats H. M, Siegbahn, Per E. M, Warshel, Arieh

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Monte Carlo Simulations of Proton Pumps: On the Working Principles of the Biological Valve That Controls Proton Pumping in Cytochrome C Oxidase von Olsson, Mats H. M., Warshel, Arieh

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A New Paradigm for Electrostatic Catalysis of Radical Reactions in Vitamin B₁₂ Enzymes von Sharma, Pankaz K., Chu, Zhen T., Olsson, Mats H. M., Warshel, Arieh

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Relation between the Structure and Spectroscopic Properties of Blue Copper Proteins von Pierloot, Kristine, De Kerpel, Jan O. A, Ryde, Ulf, Olsson, Mats H. M, Roos, Björn O

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Geometry, Reduction Potential, and Reorganization Energy of the Binuclear CuA Site, Studied by Density Functional Theory von Olsson, Mats H. M, Ryde, Ulf

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Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems von Olsson, Mats H.M, Mavri, Janez, Warshel, Arieh

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The influence of axial ligands on the reduction potential of blue copper proteins von Olsson, M H, Ryde, U

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Structure, strain, and reorganization energy of blue copper models in the protein von Ryde, Ulf, Olsson, Mats H. M.

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Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of p K a Values von Søndergaard, Chresten R., Olsson, Mats H. M., Rostkowski, Michał, Jensen, Jan H.

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PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical p K a Predictions von Olsson, Mats H. M., Søndergaard, Chresten R., Rostkowski, Michal, Jensen, Jan H.

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Improving the desolvation penalty in empirical protein pKa modeling von Olsson, Mats H. M.

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A Comparison of the Inner-Sphere Reorganization Energies of Cytochromes, Iron−Sulfur Clusters, and Blue Copper Proteins von Sigfridsson, Emma, Olsson, Mats H. M, Ryde, Ulf

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