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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(2)

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Working Paper

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Over 3 years

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Authors

Rafal Madaj

3 results in Authors: Rafal Madaj

Theoretical and Computational Chemistry

Automated In Silico Identification of Drug Candidates for Coronavirus Through a Novel Programmatic Tool and Extensive Computational (MD, DFT) Studies of Select Drug Candidates

Ben Geoffrey A S, Rafal Madaj, Akhil Sanker, Mario Sergio Valdés Tresanco, Host Antony Davidd, Gitanjali Roy, Rinnu Sarah Saji, Abdulbasit Haliru Yakubu, Beutline Malgija

Version 3 posted 17 August 2020

1,815

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2

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Theoretical and Computational Chemistry

Target2drug : A Novel Programmatic Workflow to Automate in Silico Drug Discovery

Ben Geoffrey A S, Rafal Madaj, Akhil Sanker, Pavan Preetham Valluri, Judith Gracia, Harshmeet Singh

Version 1 posted 23 November 2020

452

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Biological and Medicinal Chemistry

QPowered Compound2DeNovoDrugPropMax –A Novel Programmatic Tool Incorporating Deep Learning and In Silico Methods for Automated In Silico Bio- Activity Discovery for any Compound of Interest

Ben Geoffrey A S, Rafal Madaj, Akhil Sanker, Pavan Preetham Valluri, Ben Geoffrey

Version 3 posted 22 April 2021

1,472

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