Publications by authors named "Leonardo de Maria"

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Protectin D1 and maresin 1 attenuate airway hyperreactivity induced by IL-13 in human isolated small bronchi.
Willem Abma, Sven-Erik Dahlén, Craig E Wheelock, Mikael Adner, Mamdoh Al-Amerie, Leonardo De Maria

Br J Pharmacol· December 2025

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From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planning.
Gökçe Geylan, Mikhail Kabeshov, Samuel Genheden, Christos Kannas, Thierry Kogej, Leonardo De Maria

Chem Sci· October 2025

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PepINVENT: generative peptide design beyond natural amino acids.
Gökçe Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Leonardo De Maria

Chem Sci· May 2025

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Identification of cell type-specific cell-penetrating peptides through in vivo phage display leveraged by next generation sequencing.
Franziska Kohl, Oliver Laufkötter, Mike Firth, Luc Krimpenfort, Priyanka Mangla, Leonardo De Maria

Biomed Pharmacother· January 2025

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Robust Prediction of Relative Binding Energies for Protein-Protein Complex Mutations Using Free Energy Perturbation Calculations.
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Leonardo De Maria

J Mol Biol· August 2024

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Unravelling the Link between Oligonucleotide Structure and Diastereomer Separation in Hydrophilic Interaction Chromatography.
Honorine Lardeux, Kathrin Stavenhagen, Clément Paris, Rikke Dueholm, Camille Kurek, Leonardo De Maria

Anal Chem· June 2024

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Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations.
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Leonardo De Maria

bioRxiv· April 2024

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Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
Frank Narjes, Fredrik Edfeldt, Jens Petersen, Linda Öster, Corinne Hamblet, Leonardo De Maria

J Med Chem· February 2024

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Sequence-based prediction of the intrinsic solubility of peptides containing non-natural amino acids.
Marc Oeller, Ryan J D Kang, Hannah L Bolt, Ana L Gomes Dos Santos, Annika Langborg Weinmann, Leonardo De Maria

Nat Commun· November 2023

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Structure-Based Design of Small Imine Reductase Panels for Target Substrates.
Yuqi Yu, Arnau Rué Casamajo, William Finnigan, Christian Schnepel, Rhys Barker, Leonardo De Maria

ACS Catal· September 2023

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Analyzing proteolytic stability and metabolic hotspots of therapeutic peptides in two rodent pulmonary fluids.
Frank Wesche, Leonardo De Maria, Tomas Leek, Frank Narjes, James Bird

J Pharm Biomed Anal· February 2023

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Mechanism of Action of Flavin-Dependent Halogenases.
Rhys D Barker, Yuqi Yu, Leonardo De Maria, Linus O Johannissen, Nigel S Scrutton

ACS Catal· December 2022

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Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization.
Kosala N Amarasinghe, Leonardo De Maria, Christian Tyrchan, Leif A Eriksson, Jens Sadowski

J Chem Inf Model· June 2022

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Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble.
Martina Audagnotto, Werngard Czechtizky, Leonardo De Maria, Helena Käck, Garegin Papoian

Sci Rep· June 2022

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Automated high-throughput in vitro assays to identify metabolic hotspots and protease stability of structurally diverse, pharmacologically active peptides for inhalation.
Frank Wesche, Leonardo De Maria, Tomas Leek, Frank Narjes, James Bird

J Pharm Biomed Anal· March 2022

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Molecular Engineering of Efficacious Mono-Valent Ultra-Long Acting Two-Chain Insulin-Fc Conjugates.
Tina M Tagmose, Karen-Margrethe Pedersen, Lone Pridal, Carsten E Stidsen, Marie Ø Pedersen, Leonardo De Maria

J Med Chem· February 2022

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How well does molecular simulation reproduce environment-specific conformations of the intrinsically disordered peptides PLP, TP2 and ONEG?
Lauren M Reid, Ileana Guzzetti, Tor Svensson, Anna-Carin Carlsson, Wu Su, Leonardo De Maria

Chem Sci· February 2022

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Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex.
Dhanushka Weerakoon, Rodrigo J Carbajo, Leonardo De Maria, Christian Tyrchan, Hongtao Zhao

J Chem Inf Model· January 2022

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Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.
Claire C Munier, Leonardo De Maria, Karl Edman, Anders Gunnarsson, Marianna Longo

J Biol Chem· August 2021

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General Protocol for Constructing Molecular Models of Nanodiscs.
Lisbeth R Kjølbye, Leonardo De Maria, Tsjerk A Wassenaar, Haleh Abdizadeh, Siewert J Marrink

J Chem Inf Model· June 2021

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Glucagon Like Peptide 1 Receptor Agonists for Targeted Delivery of Antisense Oligonucleotides to Pancreatic Beta Cell.
Laurent Knerr, Thazha P Prakash, Richard Lee, William J Drury Iii, Mehran Nikan, Leonardo De Maria, Maria Ölwegård-Halvarsson

J Am Chem Soc· March 2021

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Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.
Flaviu Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria

J Chem Inf Model· January 2021

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The C-Type Lysozyme from the upper Gastrointestinal Tract of the Stinkbird.
Edward J Taylor, Michael Skjøt, Lars K Skov, Mikkel Klausen, Leonardo De Maria

Int J Mol Sci· November 2019

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Structure of Aspergillus aculeatus β-1,4-galactanase in complex with galactobiose.
Søs Torpenholt, Jens Christian N Poulsen, Sebastian Jannick Muderspach, Leonardo De Maria, Leila Lo Leggio

Acta Crystallogr F Struct Biol Commun· June 2019

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Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation.
Lisbeth Ravnkilde Kjølbye, Anne Laustsen, Mikkel Vestergaard, Xavier Periole, Leonardo De Maria

J Chem Inf Model· May 2019

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