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5 results in Authors: Thales Kronenberger

Theoretical and Computational Chemistry

Filling the blank space: Branched 4-nonylphenols isomers are responsible for robust constitutive androstane receptor (CAR) activation by nonylphenol

Azam Rashidian, Jan Dusek, Martin Drastik, Lucie Smutná, Kristin Fritsche, Albert Braeuning, Antti Poso, Thales Kronenberger, Petr Pavek

Version 1 posted 06 July 2023

152

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Theoretical and Computational Chemistry

MASSA Algorithm: automated rational sampling of training and test subsets for QSAR modelling

Gabriel Corrêa Veríssimo, Simone Queiroz Pantaleão, Philipe de Oliveira Fernandes, Jadson Castro Gertrudes, Thales Kronenberger, Kathia Maria Honório, Vinicius Gonçalves Maltarollo

Version 3 posted 29 September 2023

571

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Biological and Medicinal Chemistry

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Philipp Flury, Julian Breidenbach, Nadine Krüger, Rabea Voget, Laura Schäkel, Yaoyao Si, Vesa Krasniqi, Sara Calistri, Matthias Olfert, Katharina Sylvester, Cheila Rocha, Raphael Ditzinger, Alexander Rasch, Stefan Pöhlmann, Thales Kronenberger, Antti Poso, Katharina Rox, Stefan A. Laufer, Christa E. Müller, Michael Gütschow, Thanigaimalai Pillaiyar

Version 1 posted 07 November 2023

313

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Theoretical and Computational Chemistry

The helix-turn-helix motif in Pseudomonas aeruginosa ExsA monomer can recognize DNA and stabilize the putative ligand-binding domain

Jack Greenhalgh, Prasanthi Medarametla, Antti Poso, Martin Welch, Thales Kronenberger, Taufiq Rahman

Version 1 posted 03 October 2024

57

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Biological and Medicinal Chemistry

Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and its Variants Displaying Potent Antiviral Activity

Thanigaimalai Pillaiyar, Philipp Flury, Nadine Krüger, Katharina Sylvester, Julian Breidenbach, Ghazl Al Hamwi, Jingxin Qiao, Yan Chen, Cheila Rocha, Mateus Serafim, Elany Barbosa da Silva, Stefan Pohlmann, Antti Poso, Thales Kronenberger, Katharina Rox, Anthony O’Donoghue, Shengyong Yang, Sträter Norbert, Michael Gütschow, Stefan A. Laufer, Christa E. Müller

Version 1 posted 18 November 2024

35

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