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8 results in Keywords: SAR

Biological and Medicinal Chemistry

Working Paper

Improving Atom Type Diversity and Sampling in Co-Solvent Simulations Using λ-Dynamics

Amr Mahmoud, Ying Yang, Markus Lill

Version 1 posted 09 January 2019

587

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Biological and Medicinal Chemistry

Working Paper

Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation

Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny

Version 1 posted 03 March 2021

242

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Biological and Medicinal Chemistry

Working Paper

Learning Structure Activity Relationship (SAR) of the Wittig Reaction from Genetically-Encoded Substrates

Kejia Yan, Vivian Triana, Sunil Vasu Kalmady, Kwami Aku-Dominguez, Sharyar Memon, Alex Brown, Russell Greiner, Ratmir Derda

Version 1 posted 19 May 2021

319

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Biological and Medicinal Chemistry

Working Paper

Discovery, synthesis and biological evaluation of a series of N-(phenylcarbamothioyl)-2-napthamides as inhibitors of Claudin-1

Corey Hopkins, Viktoriya Mashinson, Thomas Webster, Anish Vadukoot, Kirsten Tolentino, Princess Simeon, Iram Fatima, Punita Dhawan

Version 1 posted 03 April 2023

103

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Organic Chemistry

Working Paper

Synthesis of Analogs of Waltheriones S and T and Their Activity Against Trypanosoma cruzi

Carolina Caso, Etienne Bonvin, Patrick Helbling, Simone Berardozzi, Christian Bold, Marcel Kaiser, Pascal Mäser, Karl-Heinz Altmann

Version 1 posted 30 January 2024

169

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Organic Chemistry

Working Paper

Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide

Etienne Cotter, Simon Glauser, Alina Lelke, Plinio Scapozza, Simone Berardozzi, Daniel Lucena-Agell, Rafael Hortigüela, Maria Oliva, J. Fernando Díaz, Karl-Heinz Altmann

Version 1 posted 30 January 2024

166

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Biological and Medicinal Chemistry

Working Paper

Expanding the scope of prenylated 1,2,3-triazoles as new antiparasitic drug candidates

Renzo Carlucci, Gabriel Di Gresia, Babu Tekwani, Shabana Khan, Guillermo Labadie

Version 1 posted 25 November 2021

203

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Organic Chemistry

Working Paper

Matcher: An Open-Source Application for Translating Large Structure/Property Datasets into Insights for Drug Design

Andrew Hoover, Martin Spale, Brian Lahue, Danny Bitton

Version 1 posted 27 October 2022

741

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8 results in SAR in Keywords: SAR

Improving Atom Type Diversity and Sampling in Co-Solvent Simulations Using λ-Dynamics

Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation

Learning Structure Activity Relationship (SAR) of the Wittig Reaction from Genetically-Encoded Substrates

Discovery, synthesis and biological evaluation of a series of N-(phenylcarbamothioyl)-2-napthamides as inhibitors of Claudin-1

Synthesis of Analogs of Waltheriones S and T and Their Activity Against Trypanosoma cruzi

Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide

Expanding the scope of prenylated 1,2,3-triazoles as new antiparasitic drug candidates

Matcher: An Open-Source Application for Translating Large Structure/Property Datasets into Insights for Drug Design

8 results in Keywords: SAR