Paulina Dominiak

University of Warsaw

Poland

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Articles (18)

Computational analysis of energetic features and intermolecular interactions in protein-inhibitor USP7 complexes

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Year:

2025

Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data

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Year:

2024

On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors

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Year:

2024

TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules

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Year:

2024

Evaluating the Neuroprotective Potential of Novel Benzodioxole Derivatives in Parkinson’s Disease via AMPA Receptor Modulation

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Year:

2024

Dynamical refinement with multipolar electron scattering factors

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Year:

2024

Towards expansion of the MATTS data bank with heavier elements: the influence of the wavefunction basis set on the multipole model derived from the wavefunction

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Year:

2024

Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off

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Year:

2023

How do density functionals affect the Hirshfeld atom refinement?

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Year:

2023

Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model

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Year:

2023

The Role of Electrostatic Interactions in IFIT5-RNA Complexes Predicted by the UBDB+EPMM Method

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Year:

2022

New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations

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Year:

2022

Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Impact of Surrounding Atoms on Electron Density from Cluster Analysis

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Year:

2022

Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

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Year:

2022

Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank

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Year:

2022

X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution

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Year:

2022

The influence of refinement strategies on the wavefunctions derived from an experiment

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Year:

2021

Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model

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Year:

2021

Collaborators (8)

Laura Pacoste

Stockholm University

SWEDEN

Julia Contreras-García

Sorbonne Université

FRANCE

Xiaodong Zou

Stockholm University

SWEDEN

Anna Zawadzka-Kazimierczuk

University of Warsaw

POLAND

Maria Górna

adiunkt (assistant professor)

University of Warsaw

POLAND

Florian Kleemiss

RWTH Aachen University

GERMANY

Marta Kulik

Assistant Professor

University of Warsaw

POLAND

Michał Chodkiewicz

University of Warsaw

POLAND

Paulina Dominiak

Research Interests

Explore related searches

Contact this professor

Articles (18)

Computational analysis of energetic features and intermolecular interactions in protein-inhibitor USP7 complexes

Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data

On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors

TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules

Evaluating the Neuroprotective Potential of Novel Benzodioxole Derivatives in Parkinson’s Disease via AMPA Receptor Modulation

Dynamical refinement with multipolar electron scattering factors

Towards expansion of the MATTS data bank with heavier elements: the influence of the wavefunction basis set on the multipole model derived from the wavefunction

Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off

How do density functionals affect the Hirshfeld atom refinement?

Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model

The Role of Electrostatic Interactions in IFIT5-RNA Complexes Predicted by the UBDB+EPMM Method

New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations

Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Impact of Surrounding Atoms on Electron Density from Cluster Analysis

Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank

X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution

The influence of refinement strategies on the wavefunctions derived from an experiment

Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model

Collaborators (8)

Laura Pacoste

Julia Contreras-García

Xiaodong Zou

Anna Zawadzka-Kazimierczuk

Maria Górna

Florian Kleemiss

Marta Kulik

Michał Chodkiewicz

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