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6 results in Keywords: Molecular Docking Approaches

Theoretical and Computational Chemistry

Working Paper

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Abd Al-Aziz A. Abu-Saleh, Ibrahim Awad, Arpita Yadav, Raymond A. Poirier

Version 1 posted 25 June 2020

576

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Biological and Medicinal Chemistry

Working Paper

Graph Neural Networks Bootstrapped for Synthetic Selection and Validation of Small Molecule Immunomodulators

Prageeth R. Wijewardhane, Krupal P. Jethava, Jonathan A Fine, Gaurav Chopra

Version 2 posted 18 October 2021

1,622

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Biological and Medicinal Chemistry

Working Paper

Computational Studies to Identify Potential Main Protease Inhibitors for SARS-CoV-2

M. Elizabeth Sobhia, Ketan Ghosh, Srikanth Sivangula, Harmanpreet Singh, Siva Kumar

Version 2 posted 13 July 2020

619

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Biological and Medicinal Chemistry

Working Paper

Computational Screening of Phytochemicals from Medicinal plants as COVID-19 Inhibitors

Alisha Khandelwal, Tripti Sharma

Version 1 posted 19 May 2020

1,318

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Citations

Biological and Medicinal Chemistry

Working Paper

Drug Repurposing for COVID-19 from FDA Approved and Experiment Stage Drugs by in Silico Methods with SARS CoV-2 Spike Protein

Sharanya CS, arun kumar, Abhithaj J, Sabu A, Haridas Madathilkovilakathu

Version 1 posted 20 May 2020

928

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Theoretical and Computational Chemistry

Working Paper

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

Sumit Kumar, Prem Prakash Sharma, Uma Shankar, Dhruv Kumar, Sanjeev K Joshi, Lindomar Pena, Ravi Durvasula, Amit Kumar, Prakasha Kempaiah, Poonam ., Brijesh Rathi

Version 1 posted 06 April 2020

1,124

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6 results in Molecular Docking Approaches in Keywords: Molecular Docking Approaches

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Graph Neural Networks Bootstrapped for Synthetic Selection and Validation of Small Molecule Immunomodulators

Computational Studies to Identify Potential Main Protease Inhibitors for SARS-CoV-2

Computational Screening of Phytochemicals from Medicinal plants as COVID-19 Inhibitors

Drug Repurposing for COVID-19 from FDA Approved and Experiment Stage Drugs by in Silico Methods with SARS CoV-2 Spike Protein

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

6 results in Keywords: Molecular Docking Approaches