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Theoretical and Computational Chemistry

Working Paper

Cheminformatics Modeling of Closantel Analogues for Treating River Blindness

Melaine A. Kuenemann, Phyo Phyo Zin, Sravya Kuchibhotla, Denis Fourches

Version 1 posted 17 January 2020

468

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Organic Chemistry

Working Paper

Ligand Accelerated Hydrogen Isotope Exchange: Switching C-H Activation from Functionalization Towards C-D Bond Formation

Zhi-Jiang Jiang, Dawei Xu, Jiakai Lu, Jianfei Bai, Bencan Tang, Jia Chen, Zhanghua Gao

Version 2 posted 08 May 2023

512

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1

Citations

Catalysis

Working Paper

Water-assisted generation of catalytic interface: The case of interfacial Pt-FeOx(OH)y sites active in preferential carbon monoxide oxidation

Ilia I. Sadykov, Dennis Palagin, Frank Krumeich, Igor V. Plokhikh, Jeroen A. van Bokhoven, Maarten Nachtegaal, Olga V. Safonova

Version 1 posted 05 September 2023

145

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Biological and Medicinal Chemistry

Working Paper

Identification of Novel MR1 Ligands Derived from Herbal Medicines by MR1-Presentation Reporter Screening and Their Structure-Activity Relationship

Takuro Matsuoka, Akira Hattori, Shinya Oishi, Norihito Arichi, Hideaki Kakeya, Sho Yamasaki, Hiroaki Ohno, Shinsuke Inuki

Version 1 posted 07 November 2022

340

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Biological and Medicinal Chemistry

Working Paper

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

Payton Thomas, Margaret Deming, Aurijit Sarkar

Version 2 posted 28 March 2022

279

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Biological and Medicinal Chemistry

Working Paper

Assessing the activity of benzodioxol, phenol and aniline derivatives as radical trapping antioxidants that inhibit ferroptosis

Helene B. E. Schricker, Mohamed M. Mouzayek, Jonas Wanninger, Hala Zahran, Kyra Lützel, Anna V. Milton, Eikan Mishima, Toshitaka Nakamura, Bettina Proneth, Marcus Conrad, David B. Konrad

Version 1 posted 28 March 2024

268

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Catalysis

Working Paper

Boundary Conditions for Promotion versus Poisoning in Copper-Gallium-based CO2–to–Methanol Hydrogenation Catalysts

Jan L. Alfke, Maria Tejeda-Serrano, Sumant Phadke, Andrei Tereshchenko, Terry Z. H. Gani, Lukas Rochlitz, Seraphine B. X. Y. Zhang, Lin Lin, Christophe Copéret, Olga V. Safonova

Version 3 posted 01 February 2024

592

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Biological and Medicinal Chemistry

Working Paper

Further synthesis and biological characterization of a series of 2-sulfonamidebenzamides as allosteric modulators of MrgX1

Swagat Sharma, Qi Peng, Anish Vadukoot, Christopher Aretz, Aaron Jensen, Alexander Wallick, Xinzhong Dong, Corey Hopkins

Version 1 posted 28 July 2021

217

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Organic Chemistry

Working Paper

Deep Alanine Scanning Reveals Potent Multi-alanine-substituted Protein–protein Interaction Inhibitors

Xiyun Ye, Yen-Chun Lee, Zachary P. Gates, Yingjie Ling, Jennifer Mortensen, Fan-Shen Yang, Yu-Shan Lin, Bradley Pentelute

Version 1 posted 21 January 2021

709

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1

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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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Refine Search

17 results in Structure-activity relationship in Keywords: Structure-activity relationship

Cheminformatics Modeling of Closantel Analogues for Treating River Blindness

Ligand Accelerated Hydrogen Isotope Exchange: Switching C-H Activation from Functionalization Towards C-D Bond Formation

Water-assisted generation of catalytic interface: The case of interfacial Pt-FeOx(OH)y sites active in preferential carbon monoxide oxidation

Identification of Novel MR1 Ligands Derived from Herbal Medicines by MR1-Presentation Reporter Screening and Their Structure-Activity Relationship

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

Assessing the activity of benzodioxol, phenol and aniline derivatives as radical trapping antioxidants that inhibit ferroptosis

Boundary Conditions for Promotion versus Poisoning in Copper-Gallium-based CO2–to–Methanol Hydrogenation Catalysts

Further synthesis and biological characterization of a series of 2-sulfonamidebenzamides as allosteric modulators of MrgX1

Deep Alanine Scanning Reveals Potent Multi-alanine-substituted Protein–protein Interaction Inhibitors

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

17 results in Keywords: Structure-activity relationship