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correlation of data
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prof. Mgr. Lubomír Rulíšek DSc.
External academic staff at Faculty of Science
2 classes
14 publications
Classes
class
Quantum chemistry applications - chemical Reactions in Condensed Phase and Enzymes
MC260P131 |
Faculty of Science
class
Computer Simulations of Chemical Reactions and Enzyme Catalysis
MC260P87 |
Faculty of Science
Publications
publication
Protein-Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory
2021 |
Faculty of Science, Central Library of Charles University
publication
Ir-Catalyzed Cycloaddition of Tribenzocyclyne with Biphenylenes
2022 |
Faculty of Science, Central Library of Charles University
publication
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II
2022 |
Faculty of Science, Central Library of Charles University
publication
Comprehensive Theoretical View of the [Cu2O2] Side-on-Peroxo-/Bis-μ-Oxo Equilibria
2022 |
Faculty of Science, Central Library of Charles University
publication
Elucidation of the tyrosinase/O2/monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis
2022 |
Faculty of Science, Central Library of Charles University
publication
Evidence for H-bonding interactions to the μ-η2:η2-peroxide of oxy-tyrosinase that activate its coupled binuclear copper site
2022 |
Faculty of Science, Central Library of Charles University
publication
Understanding desaturation/hydroxylation activity of castor stearoyl Δ9-Desaturase through rational mutagenesis
2022 |
Central Library of Charles University
publication
Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3',3'-c-di(2'F,2'dAMP)
2021 |
Faculty of Science, Central Library of Charles University
publication
Enzymatic Synthesis of 3'-5', 3'-5' Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations
2021 |
Faculty of Science, Central Library of Charles University
publication
Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains?
2021 |
Central Library of Charles University
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