Publications by authors named "Jakub Gunera"

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Phenotypic Hit Identification and Optimization of Novel Pan-TEAD and Subtype-Selective Inhibitors.
Timo Heinrich, Alessia Gambardella, Daniel Schwarz, Carl Petersson, Jakub Gunera

J Med Chem· November 2025

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MoA Studies of the TEAD P-Site Binding Ligand MSC-4106 and Its Optimization to TEAD1-Selective Amide M3686.
Timo Heinrich, Daniel Schwarz, Carl Petersson, Jakub Gunera, Sakshi Garg

J Med Chem· March 2025

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Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold.
Emma Carswell, Timo Heinrich, Carl Petersson, Jakub Gunera, Sakshi Garg

Bioorg Med Chem Lett· December 2024

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Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead .
Timo Heinrich, Carl Peterson, Richard Schneider, Sakshi Garg, Daniel Schwarz, Jakub Gunera

J Med Chem· July 2022

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Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Christina E M Schindler, Hannah Baumann, Andreas Blum, Dietrich Böse, Hans-Peter Buchstaller, Jakub Gunera

J Chem Inf Model· November 2020

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Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor.
Jakub Gunera, Jillian G Baker, Niek van Hilten, Daniel M Rosenbaum, Peter Kolb

J Med Chem· October 2020

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Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Jan Hellmann, Matthäus Drabek, Jie Yin, Jakub Gunera, Theresa Pröll

Proc Natl Acad Sci U S A· July 2020

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Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor : A Clinical Compound for the Treatment of Cancer.
Timo Heinrich, Jeyaprakashnarayanan Seenisamy, Frank Becker, Beatrix Blume, Jörg Bomke, Jakub Gunera

J Med Chem· December 2019

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Similarity- and Substructure-Based Development of β-Adrenergic Receptor Ligands Based on Unusual Scaffolds.
Denis Schmidt, Jakub Gunera, Jillian G Baker, Peter Kolb

ACS Med Chem Lett· May 2017

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PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases.
Jakub Gunera, Florian Kindinger, Shu-Ming Li, Peter Kolb

J Biol Chem· March 2017

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Fragment-based similarity searching with infinite color space.
Jakub Gunera, Peter Kolb

J Comput Chem· August 2015

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