Pawel Krupa

Warsaw, MZ 02668, Poland

Last Updated: 09/26/2026

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Found 49 publications

Compounds mimicking the Michaelis-Menten transition state of the phosphatidylinositol 4-kinase.

Compounds mimicking the Michaelis-Menten transition state of the phosphatidylinositol 4-kinase.

Journal: Bioorganic & medicinal chemistry
Published: February 20, 2026

Molecules in the Serotonin-Melatonin Synthesis Pathway Have Distinct Interactions with Lipid Membranes.

Molecules in the Serotonin-Melatonin Synthesis Pathway Have Distinct Interactions with Lipid Membranes.

Journal: The journal of physical chemistry. B
Published: February 28, 2025

Free-Docking and Template-Based Docking: Physics Versus Knowledge-Based Docking.

Free-Docking and Template-Based Docking: Physics Versus Knowledge-Based Docking.

Journal: Methods in molecular biology (Clifton, N.J.)
Published: July 10, 2024

Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction.

Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction.

Journal: The journal of physical chemistry. B
Published: July 03, 2024

Serotonin Promotes Vesicular Association and Fusion by Modifying Lipid Bilayers.

Serotonin Promotes Vesicular Association and Fusion by Modifying Lipid Bilayers.

Journal: The journal of physical chemistry. B
Published: May 14, 2024

A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta.

A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta.

Journal: International journal of molecular sciences
Published: May 09, 2024

Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations.

Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations.

Journal: The journal of physical chemistry. B
Published: May 03, 2024

Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies.

Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies.

Journal: Molecules (Basel, Switzerland)
Published: March 26, 2024

Amyloid-β Tetramers and Divalent Cations at the Membrane/Water Interface: Simple Models Support a Functional Role.

Amyloid-β Tetramers and Divalent Cations at the Membrane/Water Interface: Simple Models Support a Functional Role.

Journal: International journal of molecular sciences
Published: June 30, 2023

Why does the herpes simplex 1 virus-encoded UL49.5 protein fail to inhibit the TAP-dependent antigen presentation?

Why does the herpes simplex 1 virus-encoded UL49.5 protein fail to inhibit the TAP-dependent antigen presentation?

Journal: Biochimica et biophysica acta. Biomembranes
Published: April 21, 2023

Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations.

Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations.

Journal: The journal of physical chemistry. B
Published: February 16, 2023

Mechanical Stability of Ribonuclease A Heavily Depends on the Redox Environment.

Mechanical Stability of Ribonuclease A Heavily Depends on the Redox Environment.

Journal: The journal of physical chemistry. B
Published: August 17, 2022
Showing 1-12 of 49

Last Updated: 09/26/2026