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MM calculations
Publication
Class
Person
Publication
Programmes
publication
Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography and computational methods
2009 |
Faculty of Science
publication
Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity
2011 |
Faculty of Science, Central Library of Charles University
publication
QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH
2020 |
Faculty of Mathematics and Physics
publication
Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities
2016 |
Faculty of Science
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
Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors
2019 |
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