Virus-inspired designs of antimicrobial nanocapsules

Authors: Cruz, Carlos H. B., Marzuoli, Irene, Fraternali, Franca

Source: Faraday discussions. 232:448-462

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Nanocapsule designs for antimicrobial resistanceElectronic supplementary information (ESI) available: Additional information on the capsules; alignment of Wild Type and modified β-annulus; radius of gyration of the capsules simulated; area per lipid, component density and lipidtail order of membrane simulations (no capsules); side chains/backbone hydrogen bonds for atomistic simulation of capzip capsule; radial distribution function of capzip and β-annulus capsules amino acids around bacterial membrane lipid moieties. See DOI: 10.1039/D0NR08146A

Authors: Marzuoli, Irene, Cruz, Carlos H. B., Lorenz, Christian D., Fraternali, Franca

Source: Nanoscale. 13(23):10342-10355

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Coarse-Grained Molecular Dynamics Simulations of Membrane Proteins: A Practical Guide

Authors: Glass, William G., Essex, Jonathan W., Fraternali, Franca, Gebbie-Rayet, James, Marzuoli, Irene, Samways, Marley L., Biggin, Philip C., Khalid, Syma

Source: Methods in molecular biology. 2302:253-274

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Molecular Simulations Guidelines for Biological Nanomaterials: From Peptides to Membranes

Authors: Marzuoli, Irene, Fraternali, Franca

Source: Methods in molecular biology. 2208:81-100

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Engineering Chirally Blind Protein Pseudocapsids into Antibacterial Persisters

Authors: Kepiro, Ibolya E., Marzuoli, Irene, Hammond, Katharine, Ba, Xiaoliang, Lewis, Helen, Shaw, Michael, Gunnoo, Smita B., De Santis, Emiliana, Łapińska, Urszula, Pagliara, Stefano

Source: ACS nano. 14(2):1609-1622

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Efficient Enzymatic Synthesis of Carbamates in Water Using Promiscuous Esterases/Acyltransferases.

Authors: Meinert, Hannes¹, Oehlschläger, Florian¹, Cziegler, Clemens¹, Rockstroh, Jan², Marzuoli, Irene³, Bisagni, Serena³, Lalk, Michael², Bayer, Thomas¹, Iding, Hans³, hans.iding@roche.com, Bornscheuer, Uwe T.¹, uwe.bornscheuer@uni-greifswald.de

Source: Angewandte Chemie International Edition; 7/22/2024, Vol. 63 Issue 30, p1-6, 6p

Effiziente enzymatische Synthese von Carbamaten in Wasser durch promiskuitive Esterasen/Acyltransferasen. (German)

Authors: Meinert, Hannes¹, Oehlschläger, Florian¹, Cziegler, Clemens¹, Rockstroh, Jan², Marzuoli, Irene³, Bisagni, Serena³, Lalk, Michael², Bayer, Thomas¹, Iding, Hans³, hans.iding@roche.com, Bornscheuer, Uwe T.¹, uwe.bornscheuer@uni-greifswald.de

Source: Angewandte Chemie; 7/22/2024, Vol. 136 Issue 30, p1-6, 6p

Lipid Head Group Parameterization for GROMOS 54A8: A Consistent Approach with Protein Force Field Description

Authors: Marzuoli, Irene, Margreitter, Christian, Fraternali, Franca

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 15(10):5175-5193

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Benzoyl and Pivaloyl as Efficient Protecting Groups for Controlled Enzymatic Synthesis of DNA and XNA Oligonucleotides

Authors: Flamme, Marie, Katkevica, Dace, Pajuste, Karlis, Katkevics, Martins, Sabat, Nazarii, Hanlon, Steven, Marzuoli, Irene, Püntener, Kurt, Sladojevich, Filippo, Hollenstein, Marcel

Source: Asian journal of organic chemistry. 11(10)

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Screening methods for enzyme-mediated alcohol oxidation.

Authors: Contente, Martina L.^1,2 (AUTHOR), Marzuoli, Irene³ (AUTHOR), Iding, Hans³ (AUTHOR), Wetzl, Dennis³ (AUTHOR), Puentener, Kurt³ (AUTHOR), Hanlon, Steven P.³ (AUTHOR) steven_paul.hanlon@roche.com, Paradisi, Francesca¹ (AUTHOR) francesca.paradisi@unibe.ch

Source: Scientific Reports. 2/22/2022, Vol. 12 Issue 1, p1-8. 8p.

Subject Terms: *ALCOHOL oxidation, *CARBONYL group, *ENZYMES, *BIOCATALYSIS, *OXIDASES, *ALCOHOL

Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning

Authors: Nippa, David F., Atz, Kenneth, Hohler, Remo, Müller, Alex T., Marx, Andreas, Bartelmus, Christian, Wuitschik, Georg, Marzuoli, Irene, Jost, Vera, Wolfard, Jens, Binder, Martin, Stepan, Antonia F., Konrad, David B., Grether, Uwe, Martin, Rainer E., Schneider, Gisbert

Source: Nature Chemistry; February 2024, Vol. 16 Issue: 2 p239-248, 10p

Evaluation of 3′-phosphate as a transient protecting group for controlled enzymatic synthesis of DNA and XNA oligonucleotides.

Authors: Flamme, Marie, Hanlon, Steven, Marzuoli, Irene, Püntener, Kurt, Sladojevich, Filippo, Hollenstein, Marcel

Source: Communications Chemistry; 6/1/2022, Vol. 5 Issue 1, p1-12, 12p

Subject Terms: DNA synthesis, OLIGONUCLEOTIDES, NUCLEIC acids, SOLID-phase synthesis, DNA, FUNCTIONAL groups

Company/Entity: UNITED States. Food & Drug Administration