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noncovalent interactions
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MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration
2013 |
Faculty of Science
publication
Noncovalent Interactions in Specific Recognition Motifs of Protein-DNA Complexes
2017 |
Faculty of Science
publication
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets
2023 |
Faculty of Mathematics and Physics
publication
Biophysical Chemistry predikce struktury bílkovin;
2013 |
Faculty of Science
publication
Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations
2018 |
Faculty of Science
publication
Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis
2021 |
Faculty of Science
publication
Colorimetric detection of trace water in tetrahydrofuran using N,N '-substituted oxoporphyrinogens
2012 |
Faculty of Mathematics and Physics
publication
Interactions of of helquats with chiral acidic aromatic analytes investigated by partial-filling affinity capillary electrophoresis
2016 |
Faculty of Science
publication
Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems
2015 |
Faculty of Science
publication
Atomic-Scale Charge Distribution Mapping of Single Substitutional p- and n-Type Dopants in Graphene
2020 |
Faculty of Mathematics and Physics
publication
Uptake of Hydrogen Bonding Molecules by Benzene Nanoparticles
2022 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
A comparison of ab initio quantum-mechanical and experimental D-0 binding energies of eleven H-bonded and eleven dispersion-bound complexes
2015 |
Faculty of Science
publication
Reduction from copper(II) to copper(I) upon collisional activation of (pyridine)(2)CuCl+
2010 |
Faculty of Science
publication
The function of the membrane lipids in the effects of antidepressants
2003 |
First Faculty of Medicine
publication
The role of membrane lipids in action of antidepressants
2003 |
Faculty of Physical Education and Sport
publication
Interactions Between Tricyclic Antidepressants and Phospholipid Bilayer Membranes
2005 |
First Faculty of Medicine
publication
Fatty acids in neuropsychiatric diseases
2016 |
First Faculty of Medicine
publication
Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design
2020 |
Faculty of Science
publication
Hydrogen-Bonding Interactions of Methylated Adenine Derivatives
2021 |
Faculty of Science, Central Library of Charles University
publication
Study of solvent effects on the stability constant and ionic mobility of the dibenzo-18-crown-6 complex with potassium ion by affinity capillary electrophoresis
2016 |
Faculty of Science, Faculty of Physical Education and Sport
publication
Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide
2018 |
Faculty of Science, Faculty of Mathematics and Physics, Central Library of Charles University
publication
Antimicrobial and Anticancer Application of Silver(I) Dipeptide Complexes
2021 |
Faculty of Science
publication
Random Phase Approximation Applied to Many-Body Noncovalent Systems
2020 |
Faculty of Mathematics and Physics
publication
Reactive Nitrogen Species and Hydrogen Sulfide as Regulators of Protein Tyrosine Phosphatase Activity
2014 |
Third Faculty of Medicine
publication
Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes
2013 |
Faculty of Science
publication
Fusion of two unrelated protein domains in a chimera protein and its 3D prediction: Justification of the X-ray reference structures as a prediction benchmark
2022 |
Faculty of Science, Central Library of Charles University
publication
A study of azopyrimidine photoswitches and their interactions with cyclodextrins: When the guest governs the type of accommodation at the host
2023 |
Faculty of Science, Central Library of Charles University