Search Results - "Piskorz, Tomasz K"

Computational Modeling of Supramolecular Metallo-organic Cages–Challenges and Opportunities by Piskorz, Tomasz K., Martí-Centelles, Vicente, Young, Tom A., Lusby, Paul J., Duarte, Fernanda

“…Self-assembled metallo-organic cages have emerged as promising biomimetic platforms that can encapsulate whole substrates akin to an enzyme active site…”
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Tips and Tricks in the Modeling of Supramolecular Peptide Assemblies by Piskorz, Tomasz K., Perez-Chirinos, Laura, Qiao, Baofu, Sasselli, Ivan R.

“…Supramolecular peptide assemblies (SPAs) hold promise as materials for nanotechnology and biomedicine. Although their investigation often entails adapting…”
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Transient Supramolecular Hydrogels Formed by Aging‐Induced Seeded Self‐Assembly of Molecular Hydrogelators by Wang, Yiming, Piskorz, Tomasz K., Lovrak, Matija, Mendes, Eduardo, Guo, Xuhong, Eelkema, Rienk, Esch, Jan H.

“…Here, transient supramolecular hydrogels that are formed through simple aging‐induced seeded self‐assembly of molecular gelators are reported. In the involved…”
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Transient Supramolecular Hydrogels Formed by Aging‐Induced Seeded Self‐Assembly of Molecular Hydrogelators by Wang, Yiming, Piskorz, Tomasz K., Lovrak, Matija, Mendes, Eduardo, Guo, Xuhong, Eelkema, Rienk, van Esch, Jan H.

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Metallicious: Automated Force-Field Parameterization of Covalently Bound Metals for Supramolecular Structures by Piskorz, Tomasz K., Lee, Bernadette, Zhan, Shaoqi, Duarte, Fernanda

“…Metal ions play a central, functional, and structural role in many molecular structures, from small catalysts to metal–organic frameworks (MOFs) and proteins…”
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Picking the lock of coordination cage catalysis by Piskorz, Tomasz K, Martí-Centelles, Vicente, Spicer, Rebecca L, Duarte, Fernanda, Lusby, Paul J

“…The design principles of metallo-organic assembly reactions have facilitated access to hundreds of coordination cages of varying size and shape. Many of these…”
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CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Martí-Centelles, Vicente, Piskorz, Tomasz K., Duarte, Fernanda

“…Organic­(porous) and metal–organic cages are promising biomimetic platforms with diverse applications spanning recognition, sensing, and catalysis. The key to…”
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Enzyme-like Acyl Transfer Catalysis in a Bifunctional Organic Cage by Andrews, Keith G., Piskorz, Tomasz K., Horton, Peter N., Coles, Simon J.

“…Amide-based organic cage cavities are, in principle, ideal enzyme active site mimics. Yet, cage-promoted organocatalysis has remained elusive, in large part…”
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A Universal Model of Restricted Diffusion for Fluorescence Correlation Spectroscopy by Piskorz, Tomasz K, Ochab-Marcinek, Anna

“…Fluorescence correlation spectroscopy (FCS) is frequently used to study the processes of restricted diffusion. The most important quantity to determine is the…”
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Origins of High-Activity Cage-Catalyzed Michael Addition by Boaler, Patrick J., Piskorz, Tomasz K., Bickerton, Laura E., Wang, Jianzhu, Duarte, Fernanda, Lloyd-Jones, Guy C., Lusby, Paul J.

“…Cage catalysis continues to create significant interest, yet catalyst function remains poorly understood. Herein, we report mechanistic insights into…”
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How the Choice of Force-Field Affects the Stability and Self-Assembly Process of Supramolecular CTA Fibers by Piskorz, Tomasz K, de Vries, A. H, van Esch, Jan H

“…In recent years, computational methods have become an essential element of studies focusing on the self-assembly process. Although they provide unique…”
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Nucleation Mechanisms of Self-Assembled Physisorbed Monolayers on Graphite by Piskorz, Tomasz K, Gobbo, Cristian, Marrink, Siewert J, De Feyter, Steven, de Vries, Alex H, van Esch, Jan H

“…Coarse-grained molecular dynamics simulations are employed to obtain a detailed view of the formation of long-range ordered lamellar structures of physisorbed…”
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Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions by Moreira, Inês P, Piskorz, Tomasz K, van Esch, Jan H, Tuttle, Tell, Ulijn, Rein V

“…We report on the biocatalytic activation of a self-assembling (unprotected) tripeptide to stabilize oil-in-water emulsions on-demand. This is achieved by the…”
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Mechanism of Ostwald Ripening in 2D Physisorbed Assemblies at Molecular Time and Length Scale by Molecular Dynamics Simulations by Piskorz, Tomasz K, de Vries, Alex H, De Feyter, Steven, van Esch, Jan H

“…Ostwald ripening can improve the long-range order of self-assembled monolayers by the growth of large domains and disassembly of smaller ones. Here,…”
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