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

Volltext

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.

Volltext

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.

Volltext

Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: A general framework for examining energetics and mechanistic alternatives von Olsson, Mats H.M., Siegbahn, Per E.M., Blomberg, Margareta R.A., Warshel, Arieh

Volltext

Effect of mutations on the thermostability of Aspergillus aculeatus β-1,4-galactanase von Torpenholt, Søs, De Maria, Leonardo, Olsson, Mats H M, Christensen, Lars H, Skjøt, Michael, Westh, Peter, Jensen, Jan H, Lo Leggio, Leila

Volltext

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

Volltext

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

Volltext

On the role of strain in blue copper proteins von Ryde, U, Olsson, M H, Roos, B O, De Kerpel, J O, Pierloot, K

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

Simulating redox coupled proton transfer in cytochrome c oxidase: Looking for the proton bottleneck von Olsson, Mats H.M., Sharma, Pankaz K., Warshel, Arieh

Volltext

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

Volltext

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

Volltext

The Cupric Geometry of Blue Copper Proteins is not Strained von Ryde, Ulf, Olsson, Mats H.M., Pierloot, Kristine, Roos, Björn O.

Volltext

Quantum chemical calculations of the reorganization energy of blue‐copper proteins von Olsson, Mats H.M., Ryde, Ulf, Roos, Björn O.

Volltext