Publications by authors named "Piotr Setny"

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Distinct effects of progesterone and cholesterol on lipid membranes: insights from biophysical experiments and molecular dynamics simulations.
Anna Lągowska, Emilia Krok, Maria Domanska, Piotr Setny, Lukasz Piatkowski

Front Mol Biosci· October 2025

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Integrating Cryo-Electron Microscopy and Molecular Dynamics Simulations to Investigate Membrane Binding of Influenza Virus Fusion Peptides.
Piotr Setny, Paulina Borkowska, Remigiusz Worch

J Am Chem Soc· April 2025

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Exploring the Properties of Curved Lipid Membranes: Comparative Analysis of Atomistic and Coarse-Grained Force Fields.
Maria Domanska, Piotr Setny

J Phys Chem B· July 2024

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Dehydration of Lipid Membranes Drives Redistribution of Cholesterol Between Lateral Domains.
Hanna Orlikowska-Rzeznik, Emilia Krok, Maria Domanska, Piotr Setny, Anna Lągowska

J Phys Chem Lett· April 2024

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Molecular Mechanisms behind Conformational Transitions of the Influenza Virus Hemagglutinin Membrane Anchor.
Michal Michalski, Piotr Setny

J Phys Chem B· November 2023

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Author Correction: Discovering highly potent antimicrobial peptides with deep generative model HydrAMP.
Paulina Szymczak, Marcin Możejko, Tomasz Grzegorzek, Radosław Jurczak, Marta Bauer, Piotr Setny

Nat Commun· August 2023

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Two modes of fusogenic action for influenza virus fusion peptide.
Michal Michalski, Piotr Setny

PLoS Comput Biol· May 2023

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Discovering highly potent antimicrobial peptides with deep generative model HydrAMP.
Paulina Szymczak, Marcin Możejko, Tomasz Grzegorzek, Radosław Jurczak, Marta Bauer, Piotr Setny

Nat Commun· March 2023

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Identification of CB1 Ligands among Drugs, Phytochemicals and Natural-Like Compounds: Virtual Screening and In Vitro Verification.
Adam Stasiulewicz, Anna Lesniak, Piotr Setny, Magdalena Bujalska-Zadrożny, Joanna I Sulkowska

ACS Chem Neurosci· October 2022

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Granger Causality Analysis of Chignolin Folding.
Marcin Sobieraj, Piotr Setny

J Chem Theory Comput· March 2022

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Membrane-Bound Configuration and Lipid Perturbing Effects of Hemagglutinin Subunit 2 N-Terminus Investigated by Computer Simulations.
Michal Michalski, Piotr Setny

Front Mol Biosci· January 2022

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Entropy-based distance cutoff for protein internal contact networks.
Marcin Sobieraj, Piotr Setny

Proteins· October 2021

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Transient Excursions to Membrane Core as Determinants of Influenza Virus Fusion Peptide Activity.
Remigiusz Worch, Anita Dudek, Paulina Borkowska, Piotr Setny

Int J Mol Sci· May 2021

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Conserved internal hydration motifs in protein kinases.
Piotr Setny

Proteins· December 2020

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GridSolvate: A Web Server for the Prediction of Biomolecular Hydration Properties.
Piotr Setny

J Chem Inf Model· December 2020

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Restriction of S-adenosylmethionine conformational freedom by knotted protein binding sites.
Agata P Perlinska, Adam Stasiulewicz, Ewa K Nawrocka, Krzysztof Kazimierczuk, Piotr Setny

PLoS Comput Biol· May 2020

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Quick temperature-sweep pure-shift NMR: the case of solvent effects in atorvastatin.
Małgorzata Rytel, Paweł Kasprzak, Piotr Setny, Krzysztof Kazimierczuk

Phys Chem Chem Phys· September 2019

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Affinity, kinetics, and pathways of anisotropic ligands binding to hydrophobic model pockets.
R Gregor Weiß, Richard Chudoba, Piotr Setny, Joachim Dzubiella

J Chem Phys· September 2018

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Water-mediated conformational preselection mechanism in substrate binding cooperativity to protein kinase A.
Piotr Setny, Marta D Wiśniewska

Proc Natl Acad Sci U S A· April 2018

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Charged N-terminus of Influenza Fusion Peptide Facilitates Membrane Fusion.
Remigiusz Worch, Anita Dudek, Joanna Krupa, Anna Szymaniec, Piotr Setny

Int J Mol Sci· February 2018

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Principles for Tuning Hydrophobic Ligand-Receptor Binding Kinetics.
R Gregor Weiß, Piotr Setny, Joachim Dzubiella

J Chem Theory Comput· June 2017

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Explicit Solvent Hydration Benchmark for Proteins with Application to the PBSA Method.
Piotr Setny, Anita Dudek

J Chem Theory Comput· June 2017

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Three conserved C-terminal residues of influenza fusion peptide alter its behavior at the membrane interface.
Remigiusz Worch, Joanna Krupa, Alicja Filipek, Anna Szymaniec, Piotr Setny

Biochim Biophys Acta Gen Subj· February 2017

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Solvent Fluctuations Induce Non-Markovian Kinetics in Hydrophobic Pocket-Ligand Binding.
R Gregor Weiß, Piotr Setny, Joachim Dzubiella

J Phys Chem B· August 2016

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Prediction of Water Binding to Protein Hydration Sites with a Discrete, Semiexplicit Solvent Model.
Piotr Setny

J Chem Theory Comput· December 2015

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