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Biological and Medicinal Chemistry

Working Paper

A Drug Repurposing Approach to Identify Therapeutics by Screening Medicines for Malaria Ventures Exploiting SARS-CoV-2 Main Protease

Rashmi Tyagi, Anubrata Paul, V. Samuel Raj, Krishna Kumar Ojha, Manoj Kumar Yadav

Version 1 posted 18 January 2021

635

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Inorganic Chemistry

Working Paper

Synthesis and Characterisation of Phosphanophenolate-based Rare-Earth Metal-Copper Complexes

Andreas Fleißner, Viktoria Rehbein, Alexandra Haidinger, Christina I. Dilly, Antoine Dupé, Roland C. Fischer, Elise S. Hecht, Johann A. Hlina

Version 2 posted 18 April 2025

264

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Organic Chemistry

Working Paper

Discovery of UbiA-Type Cyathane Synthases in Bacteria

Tyler Alsup, Diana Łomowska-Keehner, Melvin Osei Opoku, Zining Li, Caitlin McCadden, Tracy Qu, Glen Gillia, Jordan Nafie, Jeffrey Rudolf

Version 1 posted 07 July 2025

212

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Theoretical and Computational Chemistry

Working Paper

Hyper-Raman Spectra in Solution based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory

Kayo Suda, Kiyoshi Yagi, Daisuke Yokogawa

Version 2 posted 19 June 2025

142

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Biological and Medicinal Chemistry

Working Paper

An Efficient Machine Learning-Based Prediction Model for JAK2 Inhibitor pIC50

Shengyao Liang

Version 3 posted 06 May 2025

271

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Nanoscience

Working Paper

Photo-induced and Thermal Bistability of Spin Crossover Nano-particles

Nadeem Natt, Benjamin Powell

Version 1 posted 09 April 2025

121

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Physical Chemistry

Working Paper

Ion-pair specific response of water to electric fields

Wanlin Chen, Chun Yu Ma, Gerhard Schwaab, Martina Havenith

Version 1 posted 20 May 2025

258

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Polymer Science

Working Paper

Membrane-anchored polyproline provides controlled micro-domain formation and permeability in lipid vesicles

Rosanna Le Scouarnec, Emmanuel Ibarboure, Lena Léna Alembik, Sébastien Lecommandoux, Jeanne Leblond Chain, Colin Bonduelle

Version 3 posted 12 June 2025

384

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Materials Science

Working Paper

Observation of Anisotropic Phonon-Electron Coupling in Two-Dimensional Covalent Organic Frameworks

Yilin Zhang, Zhixiang Dai, Zihan Tan, Hongli Yang, Shengyang Zhou, Zhongming Li

Version 1 posted 07 April 2025

221

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Biological and Medicinal Chemistry

Working Paper

AlphaFold2-RAVE: Protein Ensemble Generation with Physics-Based Sampling

Da Teng, Vanessa J. Meraz, Akashnathan Aranganathan, Xinyu Gu, Pratyush Tiwary

Version 2 posted 21 March 2025

1,427

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A Drug Repurposing Approach to Identify Therapeutics by Screening Medicines for Malaria Ventures Exploiting SARS-CoV-2 Main Protease

Synthesis and Characterisation of Phosphanophenolate-based Rare-Earth Metal-Copper Complexes

Discovery of UbiA-Type Cyathane Synthases in Bacteria

Hyper-Raman Spectra in Solution based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory

An Efficient Machine Learning-Based Prediction Model for JAK2 Inhibitor pIC50

Photo-induced and Thermal Bistability of Spin Crossover Nano-particles

Ion-pair specific response of water to electric fields

Membrane-anchored polyproline provides controlled micro-domain formation and permeability in lipid vesicles

Observation of Anisotropic Phonon-Electron Coupling in Two-Dimensional Covalent Organic Frameworks

AlphaFold2-RAVE: Protein Ensemble Generation with Physics-Based Sampling