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Katarina Roos

Showing results (1-10 of 11) with videos related to

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ACS Omega|June 26, 2023
Understanding the Structure-Activity Relationship through Density Functional Theory: A Simple Method Predicts Relative Binding Free Energies of Metalloenzyme Fragment-like InhibitorsSilvana Vasile, Katarina Roos
Biochemistry|February 18, 2009
Density functional theory study of the manganese-containing ribonucleotide reductase from Chlamydia trachomatis: why manganese is needed in the active complexKatarina Roos, Per E M Siegbahn
Inorganic Chemistry|March 30, 2013
Activation of dimanganese class Ib ribonucleotide reductase by hydrogen peroxide: mechanistic insights from density functional theoryKatarina Roos, Per E M Siegbahn
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|January 25, 2011
Oxygen cleavage with manganese and iron in ribonucleotide reductase from Chlamydia trachomatisKatarina Roos, Per E M Siegbahn
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|November 16, 2011
A comparison of two-electron chemistry performed by the manganese and iron heterodimer and homodimersKatarina Roos, Per E M Siegbahn
Journal of Chemical Information and Modeling|January 25, 2014
Potency prediction of β-secretase (BACE-1) inhibitors using density functional methodsKatarina Roos, Jenny Viklund, Johan Meuller, et al.
Journal of Computer-Aided Molecular Design|November 18, 2015
Predicting the relative binding affinity of mineralocorticoid receptor antagonists by density functional methodsKatarina Roos, Anders Hogner, Derek Ogg, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 9, 2013
Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloproteinJulia J Griese, Katarina Roos, Nicholas Cox, et al.
Journal of Chemical Theory and Computation|February 16, 2019
OPLS3e: Extending Force Field Coverage for Drug-Like Small MoleculesKatarina Roos, Chuanjie Wu, Wolfgang Damm, et al.
Journal of the American Chemical Society|August 26, 2014
Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteinsHannah S Shafaat, Julia J Griese, Dimitrios A Pantazis, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
ACS Omega|June 26, 2023
Understanding the Structure-Activity Relationship through Density Functional Theory: A Simple Method Predicts Relative Binding Free Energies of Metalloenzyme Fragment-like InhibitorsSilvana Vasile, Katarina Roos
Biochemistry|February 18, 2009
Density functional theory study of the manganese-containing ribonucleotide reductase from Chlamydia trachomatis: why manganese is needed in the active complexKatarina Roos, Per E M Siegbahn
Inorganic Chemistry|March 30, 2013
Activation of dimanganese class Ib ribonucleotide reductase by hydrogen peroxide: mechanistic insights from density functional theoryKatarina Roos, Per E M Siegbahn
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|January 25, 2011
Oxygen cleavage with manganese and iron in ribonucleotide reductase from Chlamydia trachomatisKatarina Roos, Per E M Siegbahn
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|November 16, 2011
A comparison of two-electron chemistry performed by the manganese and iron heterodimer and homodimersKatarina Roos, Per E M Siegbahn
Journal of Chemical Information and Modeling|January 25, 2014
Potency prediction of β-secretase (BACE-1) inhibitors using density functional methodsKatarina Roos, Jenny Viklund, Johan Meuller, et al.
Journal of Computer-Aided Molecular Design|November 18, 2015
Predicting the relative binding affinity of mineralocorticoid receptor antagonists by density functional methodsKatarina Roos, Anders Hogner, Derek Ogg, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 9, 2013
Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloproteinJulia J Griese, Katarina Roos, Nicholas Cox, et al.
Journal of Chemical Theory and Computation|February 16, 2019
OPLS3e: Extending Force Field Coverage for Drug-Like Small MoleculesKatarina Roos, Chuanjie Wu, Wolfgang Damm, et al.
Journal of the American Chemical Society|August 26, 2014
Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteinsHannah S Shafaat, Julia J Griese, Dimitrios A Pantazis, et al.
Pageof 2