Publications by authors named "Natesh Singh"

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A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces.
Natesh Singh, Bruno O Villoutreix

Int J Mol Sci· November 2022

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A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein-ligand complexes.
Laurianne David, Anissa Mdahoma, Natesh Singh, Sébastien Buchoux, Emilie Pihan

Bioinform Adv· November 2022

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The first laminin G-like domain of protein S is essential for binding and activation of Tyro3 receptor and intracellular signalling.
Nour Al Kafri, Josefin Ahnström, Adrienn Teraz-Orosz, Ludovic Chaput, Natesh Singh

Biochem Biophys Rep· July 2022

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Kinase signaling as a drug target modality for regulation of vascular hyperpermeability: A case for ARDS therapy development.
Usamah S Kayyali, Elizabeth Ghandakly, Natesh Singh, Bruno O Villoutreix, Katya Tsaioun

Drug Discov Today· May 2022

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Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.
Natesh Singh, Bruno O Villoutreix

Comput Struct Biotechnol J· April 2021

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Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
Natesh Singh, Ludovic Chaput, Bruno O Villoutreix

Brief Bioinform· March 2021

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Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages.
Natesh Singh, Etienne Decroly, Abdel-Majid Khatib, Bruno O Villoutreix

Eur J Pharm Sci· October 2020

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Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABA Receptor by Molecular Modeling.
Natesh Singh, Bruno O Villoutreix

Front Pharmacol· September 2020

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FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.
Ludovic Chaput, Valentin Guillaume, Natesh Singh, Benoit Deprez, Bruno O Villoutreix

Bioinformatics· August 2020

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Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
Natesh Singh, Ludovic Chaput, Bruno O Villoutreix

J Chem Inf Model· August 2020

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Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).
Natesh Singh, Bruno O Villoutreix, Gerhard F Ecker

Sci Rep· October 2019

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Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods.
Natesh Singh, Mariafrancesca Scalise, Michele Galluccio, Marcus Wieder, Thomas Seidel

Int J Mol Sci· December 2018

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Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1.
Natesh Singh, Gerhard F Ecker

Int J Mol Sci· April 2018

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Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders.
Mette Ishoey, Someth Chorn, Natesh Singh, Martin G Jaeger, Matthias Brand

ACS Chem Biol· March 2018

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