Publications by authors named "Jeremie Mortier"

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Sevabertinib, a Reversible HER2 Inhibitor with Activity in Lung Cancer.
Franziska Siegel, Stephan Siegel, Kristýna Kotýnková, Gizem Karsli Uzunbas, Daniel Korr, Jérémie Mortier

Cancer Discov· October 2025

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Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods.
Marko Breznik, Yunhui Ge, Joseph P Bluck, Hans Briem, David F Hahn, Jérémie Mortier

ChemMedChem· January 2023

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KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination.
Dominique Sydow, Paula Schmiel, Jérémie Mortier, Andrea Volkamer

J Chem Inf Model· December 2020

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Identification of Small Molecules that Modulate Mutant p53 Condensation.
Clara Lemos, Luise Schulze, Joerg Weiske, Hanna Meyer, Nico Braeuer, Jeremie Mortier

iScience· September 2020

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Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRAS.
Jérémie Mortier, Anders Friberg, Volker Badock, Dieter Moosmayer, Jens Schroeder

ChemMedChem· May 2020

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Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces.
Jérémie Mortier, Pratik Dhakal, Andrea Volkamer

Molecules· August 2018

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Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities.
Jérémie Mortier, Julien R C Prévost, Dominique Sydow, Sabine Teuchert, Christian Omieczynski

Sci Rep· October 2017

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Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives.
Hatem A Abuelizz, Rashad Al-Salahi, Jamil Al-Asri, Jérémie Mortier, Mohamed Marzouk

Chem Cent J· October 2017

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More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.
Marcel Bermudez, Jeremie Mortier, Christin Rakers, Dominique Sydow, Gerhard Wolber

Drug Discov Today· November 2016

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α-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening.
Jamil Al-Asri, Gyöngyi Gyémánt, Erika Fazekas, Gábor Lehoczki, Matthias F Melzig, Jérémie Mortier

ChemMedChem· November 2016

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Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.).
Judit R Homoki, Andrea Nemes, Erika Fazekas, Gyöngyi Gyémánt, Péter Balogh, Jérémie Mortier

Food Chem· March 2016

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From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors.
Jamil Al-Asri, Erika Fazekas, Gábor Lehoczki, Andrej Perdih, Cornelia Görick, Jérémie Mortier

Bioorg Med Chem· October 2015

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Tailored Presentation of Carbohydrates on a Coiled Coil-Based Scaffold for Asialoglycoprotein Receptor Targeting.
Elsa Zacco, Julia Hütter, Jason L Heier, Jérémie Mortier, Peter H Seeberger

ACS Chem Biol· September 2015

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The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes.
Jérémie Mortier, Christin Rakers, Marcel Bermudez, Manuela S Murgueitio, Sereina Riniker

Drug Discov Today· June 2015

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Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches.
Rime B El-Houri, Jérémie Mortier, Manuela S Murgueitio, Gerhard Wolber, Lars P Christensen

Planta Med· April 2015

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3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties.
Céline Meinguet, Céline Bruyère, Raphaël Frédérick, Véronique Mathieu, Christelle Vancraeynest, Jérémie Mortier

Eur J Med Chem· April 2015

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Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.
Jérémie Mortier, Elisabeth K Nyakatura, Oliver Reimann, Susanne Huhmann, Jan O Daldrop

J Chem Inf Model· March 2015

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Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin.
Vivian Asante, Jérémie Mortier, Gerhard Wolber, Beate Koksch

Amino Acids· December 2014

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β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils.
Elisabeth K Nyakatura, Jérémie Mortier, Vanessa S Radtke, Sebastian Wieczorek, Raheleh Rezaei Araghi

ACS Med Chem Lett· December 2014

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Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity.
Shadia A Galal, Sarah H M Khairat, Fatma A F Ragab, Ahmed S Abdelsamie, Mamdouh M Ali, Jérémie Mortier

Eur J Med Chem· October 2014

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Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase.
Christin Rakers, Sverre-Morten Schwerdtfeger, Jérémie Mortier, Susanne Duwe, Thorsten Wolff

Bioorg Med Chem Lett· September 2014

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Discovery of Sanggenon G as a natural cell-permeable small-molecular weight inhibitor of X-linked inhibitor of apoptosis protein (XIAP).
Maximilian A Seiter, Stefan Salcher, Martina Rupp, Judith Hagenbuchner, Ursula Kiechl-Kohlendorfer, Jérémie Mortier

FEBS Open Bio· August 2014

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Synthesis, biological evaluation, and docking studies of new 2-furylbenzimidazoles as anti-angiogenic agents: part II.
Ahmed Temirak, Yasser M Shaker, Fatma A F Ragab, Mamdouh M Ali, Salwa M Soliman, Jeremie Mortier

Arch Pharm (Weinheim)· April 2014

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An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides.
Elisabeth K Nyakatura, Raheleh Rezaei Araghi, Jérémie Mortier, Sebastian Wieczorek, Carsten Baldauf

ACS Chem Biol· March 2014

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Balancing selectivity vs stability using molecular dynamics and umbrella sampling.
Jeremie Mortier, Elisabeth K Nyakatura, Markus Miettinen, Carsten Baldauf, Gerhard Wolber

J Cheminform· March 2014

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