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Materials Science

Working Paper

Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites

Daniel Schwalbe-Koda, Rafael Gomez-Bombarelli

Version 2 posted 22 January 2021

745

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1

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Biological and Medicinal Chemistry

Working Paper

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part III] the Electronic Factors of Remdesivir and the Naturally Extracted Aspirochlorine Drugs

M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb

Version 1 posted 08 May 2020

674

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1

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Biological and Medicinal Chemistry

Working Paper

Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Version 2 posted 16 July 2020

917

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Materials Science

Working Paper

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Rylan Rowsey, Erin E Taylor, Stephan Irle, Nicholas Stadie, Robert Szilagyi

Version 1 posted 08 January 2021

334

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Physical Chemistry

Working Paper

Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets

Sasha Gazzari, Kerry Wrighton-Araneda, Diego Cortes-Arriagada

Version 1 posted 23 July 2020

235

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Biological and Medicinal Chemistry

Working Paper

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

Muthu Raj S, Manohar M, Mohan M, Ganesh P, Marimuthu K

Version 1 posted 11 June 2020

423

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Theoretical and Computational Chemistry

Working Paper

On the binding energy of atoms in crystals and the speed of sound

Aldo Dall'Osso

Version 5 posted 19 April 2023

549

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Biological and Medicinal Chemistry

Working Paper

Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils

Ashim Nandi, Aoxuan Zhang, Elad Arad, Raz Jelinek, Arieh Warshel

Version 2 posted 06 March 2024

205

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Theoretical and Computational Chemistry

Working Paper

Theoretical insight into complexation between cyclocarbons and C60 fullerene

Zeyu Liu, Tian Lu

Version 1 posted 25 April 2024

55

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Materials Chemistry

Working Paper

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Diego Cortés-Arriagada

Version 1 posted 01 September 2021

203

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12 results in Binding Energy in Keywords: Binding Energy

Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part III] the Electronic Factors of Remdesivir and the Naturally Extracted Aspirochlorine Drugs

Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

On the binding energy of atoms in crystals and the speed of sound

Assessing the Catalytic Role of Native Glucagon Amyloid Fibrils

Theoretical insight into complexation between cyclocarbons and C60 fullerene

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

12 results in Keywords: Binding Energy