COLLABORATION NETWORK
Publications
Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme
Title: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme Year: 2018 Authors (4):M. A. L. Limb, R. Suardíaz, I. M. Grant, et.al Journal: Chemistry - A European Journal DOI: 10.1002/chem.201805250 Type: article-journal Themes: Biocatalysis
QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes
Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018 Authors (4):E. Lence, M. W. van der Kamp, C. González-Bello, et.al Journal: Organic & Biomolecular Chemistry DOI: 10.1039/c8ob00066b Type: article-journal Themes: Biocatalysis
Biocatalytic Routes to Lactone Monomers for Polymer Production
Title: Biocatalytic Routes to Lactone Monomers for Polymer Production Year: 2018 Authors (10):H. L. Messiha, S. T. Ahmed, V. Karuppiah, et.al Journal: Biochemistry DOI: 10.1021/acs.biochem.8b00169 Type: article-journal Themes: Biocatalysis
P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping
Title: P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping Year: 2018 Authors (17):C. G. Acevedo-Rocha, C. G. Gamble, R. Lonsdale, et.al Journal: ACS Catalysis DOI: 10.1021/acscatal.8b00389 Type: article-journal Themes: Biocatalysis
Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants
Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017 Authors (4):W. Beker, M. W. van der Kamp, A. J. Mulholland, et.al Journal: Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.6b01131 Type: article-journal Themes: Biocatalysis
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