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Journal of Molecular Modeling
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February 19, 2015
N-H⋯O versus O-H⋯O: density functional calculation and first principle molecular dynamics study on a quinoline-2-carboxamide N-oxide
Aneta Jezierska
Molecules (Basel, Switzerland)
|
December 23, 2022
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
Kamil Wojtkowiak, Aneta Jezierska
Pharmaceuticals (Basel, Switzerland)
|
April 28, 2023
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach
Kamil Wojtkowiak, Aneta Jezierska
Journal of Molecular Modeling
|
January 29, 2020
Theoretical study of intramolecular hydrogen bond in selected symmetric "proton sponges" on the basis of DFT and CPMD methods
Aneta Jezierska, Jarosław J Panek
Journal of Molecular Modeling
|
January 25, 2015
Hydrogen bridges of polycyclic aromatic systems with O-H···O bonds--a gas-phase vs. solid-state Car-Parrinello study
Jarosław J Panek, Aneta Jezierska
Journal of Computational Chemistry
|
November 7, 2008
Investigations of an O-H...S hydrogen bond via Car-Parrinello and path integral molecular dynamics
Aneta Jezierska, Jarosław J Panek
Journal of Chemical Information and Modeling
|
May 13, 2015
"Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics
Aneta Jezierska, Jarosław J Panek
The Journal of Physical Chemistry. A
|
January 26, 2007
Symmetry-adapted perturbation theory analysis of the N...HX hydrogen bonds
Jarosław J Panek, Aneta Jezierska
Journal of Molecular Modeling
|
November 28, 2019
Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins
Aneta Jezierska, Jarosław Jan Panek
Journal of Chemical Theory and Computation
|
December 2, 2015
First-Principle Molecular Dynamics Study of Selected Schiff and Mannich Bases: Application of Two-Dimensional Potential of Mean Force to Systems with Strong Intramolecular Hydrogen Bonds
Aneta Jezierska, Jarosław J Panek
Page
of 8
Search research articles
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Showing results (1-10 of 78) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
February 19, 2015
N-H⋯O versus O-H⋯O: density functional calculation and first principle molecular dynamics study on a quinoline-2-carboxamide N-oxide
Aneta Jezierska
Molecules (Basel, Switzerland)
|
December 23, 2022
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
Kamil Wojtkowiak, Aneta Jezierska
Pharmaceuticals (Basel, Switzerland)
|
April 28, 2023
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach
Kamil Wojtkowiak, Aneta Jezierska
Journal of Molecular Modeling
|
January 29, 2020
Theoretical study of intramolecular hydrogen bond in selected symmetric "proton sponges" on the basis of DFT and CPMD methods
Aneta Jezierska, Jarosław J Panek
Journal of Molecular Modeling
|
January 25, 2015
Hydrogen bridges of polycyclic aromatic systems with O-H···O bonds--a gas-phase vs. solid-state Car-Parrinello study
Jarosław J Panek, Aneta Jezierska
Journal of Computational Chemistry
|
November 7, 2008
Investigations of an O-H...S hydrogen bond via Car-Parrinello and path integral molecular dynamics
Aneta Jezierska, Jarosław J Panek
Journal of Chemical Information and Modeling
|
May 13, 2015
"Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics
Aneta Jezierska, Jarosław J Panek
The Journal of Physical Chemistry. A
|
January 26, 2007
Symmetry-adapted perturbation theory analysis of the N...HX hydrogen bonds
Jarosław J Panek, Aneta Jezierska
Journal of Molecular Modeling
|
November 28, 2019
Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins
Aneta Jezierska, Jarosław Jan Panek
Journal of Chemical Theory and Computation
|
December 2, 2015
First-Principle Molecular Dynamics Study of Selected Schiff and Mannich Bases: Application of Two-Dimensional Potential of Mean Force to Systems with Strong Intramolecular Hydrogen Bonds
Aneta Jezierska, Jarosław J Panek
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of 8