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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Ben Geoffrey A S

4 results in Authors: Ben Geoffrey A S

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

1,670

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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

414

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Theoretical and Computational Chemistry

Ab Initio Calculations of Dissociation Energy of Water Molecule on Near-Term Quantum Devices Using the Pennylane Interface to Quantum Hardware

Ben Geoffrey A S

Version 1 posted 22 February 2021

455

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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

1,376

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