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Physical Chemistry

Working Paper

The Influence of Nanoscale Roughness on the Electrostatic Double Layer: the Shift of the Isoelectric Point of Cluster-Assembled Nanostructured Zirconia Films

Francesca Borghi, Bianca Scaparra, Costanza Paternoster, Paolo Milani, Alessandro Podestà

Version 1 posted 07 February 2018

804

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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

482

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Biological and Medicinal Chemistry

Working Paper

Characterization of Protease-Activated Receptor (PAR) Ligands: Parmodulins Are Reversible Allosteric Inhibitors of PAR1-Driven Calcium Mobilization in Endothelial Cells

Disha M. Gandhi, Mark W. Majewski, Ricardo Rosas, Kaitlin Kentala, Trevor J. Foster, Eric Greve, Chris Dockendorff

Version 1 posted 21 February 2018

543

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Physical Chemistry

Working Paper

Excitonics: A universal set of binary gates for molecular exciton processing and signaling

Nicolas Sawaya, Dmitrij Rappoport, Daniel Tabor, Alan Aspuru-Guzik

Version 1 posted 15 August 2017

1,379

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2

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Theoretical and Computational Chemistry

Working Paper

Fast Treatment of Noncovalent Packing Using Dispersion-Corrected Harris Approximate Density Functional Theory

Andrey B. Sharapov, Geoffrey Hutchison

Version 1 posted 16 August 2017

567

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Theoretical and Computational Chemistry

Working Paper

Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian

Anthony Dutoi, Yuhong Liu

Version 2 posted 28 August 2017

1,151

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Physical Chemistry

Working Paper

Phase behaviour and applications of a binary liquid-liquid mixture of methanol and a thermotropic liquid crystal

Luis A Serrano, Maximiliano J Fornerod, Ye Yang, Simon Gaisford, Francesco Stellacci, Stefan Guldin

Version 1 posted 05 December 2017

621

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Biological and Medicinal Chemistry

Working Paper

Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease

Lewis Turner, Alexander Lund Nielsen, Lucy Lin, Antonio J. Campedelli, Nicholas Silvaggi, Jason Chen, Amanda E. Wakefield, Karen N. Allen, Kim janda

Version 1 posted 08 June 2021

276

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Theoretical and Computational Chemistry

Working Paper

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

Maciej Wójcikowski, Michał Kukiełka, Marta Stepniewska-Dziubinska, Pawel Siedlecki

Version 1 posted 28 February 2018

843

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Analytical Chemistry

Working Paper

Smart Chemiluminescence Probes and Dual-Amplification of Signal for Detection of Amyloid Beta Species in Alzheimer’s Disease Model

Jing Yang, Wei Yin, Richard Van, Keyi Yin, Peng Wang, Chao Zheng, Biyue Zhu, Kathleen Ran, Can Zhang, Yihan Shao, Chongzhao Ran

Version 1 posted 20 April 2020

641

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The Influence of Nanoscale Roughness on the Electrostatic Double Layer: the Shift of the Isoelectric Point of Cluster-Assembled Nanostructured Zirconia Films

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

Characterization of Protease-Activated Receptor (PAR) Ligands: Parmodulins Are Reversible Allosteric Inhibitors of PAR1-Driven Calcium Mobilization in Endothelial Cells

Excitonics: A universal set of binary gates for molecular exciton processing and signaling

Fast Treatment of Noncovalent Packing Using Dispersion-Corrected Harris Approximate Density Functional Theory

Excitonic Coupled-cluster Theory: Part II, Electronic Hamiltonian

Phase behaviour and applications of a binary liquid-liquid mixture of methanol and a thermotropic liquid crystal

Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

Smart Chemiluminescence Probes and Dual-Amplification of Signal for Detection of Amyloid Beta Species in Alzheimer’s Disease Model