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11 results in Keywords: Approved drugs, Docking, SARS-CoV-2 protease, COVID-19 treatment methods

Theoretical and Computational Chemistry

Working Paper

Quick and Efficient Quantitative Predictions of Androgen Receptor Binding Affinity for Screening Endocrine Disruptor Chemicals Using 2D-QSAR and Chemical Read-Across

Arkaprava Banerjee, Priyanka De, Vinay Kumar, Supratik Kar, Kunal Roy

Version 1 posted 21 April 2022

491

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Citations

Theoretical and Computational Chemistry

Working Paper

Assessing the Performance of Docking, FEP, and MM/GBSA Methods on a Series of KLK6 Inhibitors

Wemenes José Lima Silva, Renato Ferreira de Freitas

Version 1 posted 17 April 2023

316

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Biological and Medicinal Chemistry

Working Paper

New star-shaped ligands generated by evolutionary fitting the Omicron spike inner-cavity

julio coll

Version 1 posted 25 April 2023

123

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Theoretical and Computational Chemistry

Working Paper

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters

T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Thien Y Vu, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, Son Tung Ngo

Version 2 posted 12 October 2021

2,466

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Biological and Medicinal Chemistry

Working Paper

Evolutionary-docking targeting bacterial FtsZ

julio coll

Version 1 posted 07 March 2023

166

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Biological and Medicinal Chemistry

Working Paper

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

TACHOUA Wafa, KABRINE Mohamed, Mamona Mushtaq, Zaheer Ul-Haq

Version 2 posted 29 June 2020

2,218

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Citations

Biological and Medicinal Chemistry

Working Paper

Comparative Structure Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor

Fady Baselious, Sebastian Hilscher, Dina Robaa, Cyril Barinka, Mike Schutkowski, Wolfgang Sippl

Version 2 posted 18 January 2024

176

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Biological and Medicinal Chemistry

Working Paper

Could Acinetobacter baumannii Lol-abaucin docking be improved?

julio coll

Version 1 posted 28 June 2023

188

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Biological and Medicinal Chemistry

Working Paper

Repurposing of drugs for combined treatment of COVID 19 cytokine storm using machine learning

Igor Tsigelny, Maanaskumar Gantla, Valentina Kouznetsova

Version 1 posted 18 August 2022

185

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Biological and Medicinal Chemistry

Working Paper

Utilization of an Optimized AlphaFold Protein Model for Structure-Based Design of a Selective HDAC11 Inhibitor with Anti-neuroblastoma Activity

Fady Baselious, Sebastian Hilscher, Sven Hagemann, Sunita Tripathee, Dina Robaa, Cyril Barinka, Stefan Hüttelmaier, Mike Schutkowski, Wolfgang Sippl

Version 1 posted 09 January 2024

175

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11 results in Approved drugs, Docking, SARS-CoV-2 protease, COVID-19 treatment methods in Keywords: Approved drugs, Docking, SARS-CoV-2 protease, COVID-19 treatment methods

Quick and Efficient Quantitative Predictions of Androgen Receptor Binding Affinity for Screening Endocrine Disruptor Chemicals Using 2D-QSAR and Chemical Read-Across

Assessing the Performance of Docking, FEP, and MM/GBSA Methods on a Series of KLK6 Inhibitors

New star-shaped ligands generated by evolutionary fitting the Omicron spike inner-cavity

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters

Evolutionary-docking targeting bacterial FtsZ

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

Comparative Structure Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor

Could Acinetobacter baumannii Lol-abaucin docking be improved?

Repurposing of drugs for combined treatment of COVID 19 cytokine storm using machine learning

Utilization of an Optimized AlphaFold Protein Model for Structure-Based Design of a Selective HDAC11 Inhibitor with Anti-neuroblastoma Activity

11 results in Keywords: Approved drugs, Docking, SARS-CoV-2 protease, COVID-19 treatment methods