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Theoretical and Computational Chemistry

Working Paper

An in Silico Scientific Basis for LL-37 as a Therapeutic and Vitamin D as Preventive for Covid-19.

Kiran Bharat Lokhande, Tanushree Banerjee, K. Venkateswara Swamy, Manisha Deshpande

Version 2 posted 29 December 2020

945

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Biological and Medicinal Chemistry

Working Paper

Prioritization of Potential Drugs Targeting the SARS-CoV-2 Main Protease

Yanjin Li, Yu Zhang, Yikai Han, Tengfei Zhang, Ranran Du

Version 1 posted 09 July 2020

625

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Theoretical and Computational Chemistry

Working Paper

Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli

Version 1 posted 23 August 2019

1,847

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5

Citations

Biological and Medicinal Chemistry

Working Paper

Potential Drug Candidates for SARS-CoV-2 Using Computational Screening and Enhanced Sampling Methods

Sadanandam Namsani, Debabrata Pramanik, Mohd Aamir Khan, Sudip Roy, Jayant Singh

Version 3 posted 25 August 2020

1,469

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1

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Biological and Medicinal Chemistry

Working Paper

Prediction of SARS-CoV-2 Main Protease Inhibitors from Several Medicinal Plant Compounds by Drug Repurposing and Molecular Docking Approach.

Sayma Farabi, Nihar Ranjan Saha, Noushin Anika Khan, Md. Hasanuzzaman

Version 1 posted 08 June 2020

1,170

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1

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Biological and Medicinal Chemistry

Working Paper

Screening of Anticancer Drugs as Potential Candidates to Target COVID-19 Disease

Gayatri Gurjar

Version 1 posted 14 May 2020

839

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Biological and Medicinal Chemistry

Working Paper

In Silico Study of 1,5-Bis(4-Hydroxy-3-Methoxyphenyl)-1,4-Pentadiene-3-One (Deketene Curcumin) on Crystallized Protein Structures of SARS-CoV-2

Vraj shah, Jaydip Bhaliya, Dhwani Shah

Version 1 posted 28 May 2020

674

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Theoretical and Computational Chemistry

Working Paper

Battle Against Coronavirus: Repurposing Old Friends (Food Borne Polyphenols) for New Enemy (COVID-19)

sonam bhatia, Sabeena Giri, Arnica F Lal, Shaminder Singh

Version 1 posted 13 April 2020

1,565

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

Sourav Das, Atanu Singha Roy

Version 1 posted 07 May 2020

1,476

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Repurposing FDA-Approved Drugs for COVID-19 Using a Data-Driven Approach

Rodrigo R. R. Duarte, Dennis C. Copertino Jr., Luis P. Iñiguez, Jez L. Marston, Douglas F. Nixon, Timothy R. Powell

Version 1 posted 21 April 2020

2,499

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5

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127 results in MOLECULAR DOCKING in Keywords: MOLECULAR DOCKING

An in Silico Scientific Basis for LL-37 as a Therapeutic and Vitamin D as Preventive for Covid-19.

Prioritization of Potential Drugs Targeting the SARS-CoV-2 Main Protease

Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

Potential Drug Candidates for SARS-CoV-2 Using Computational Screening and Enhanced Sampling Methods

Prediction of SARS-CoV-2 Main Protease Inhibitors from Several Medicinal Plant Compounds by Drug Repurposing and Molecular Docking Approach.

Screening of Anticancer Drugs as Potential Candidates to Target COVID-19 Disease

In Silico Study of 1,5-Bis(4-Hydroxy-3-Methoxyphenyl)-1,4-Pentadiene-3-One (Deketene Curcumin) on Crystallized Protein Structures of SARS-CoV-2

Battle Against Coronavirus: Repurposing Old Friends (Food Borne Polyphenols) for New Enemy (COVID-19)

Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

Repurposing FDA-Approved Drugs for COVID-19 Using a Data-Driven Approach

127 results in Keywords: MOLECULAR DOCKING