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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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computer-aided drug discovery

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3 results in Keywords: computer-aided drug discovery

Theoretical and Computational Chemistry

Dyad orientation-dependent regulation of SARS-CoV 2 protease: towards informed structure-based drug discovery

Khaled Abdel-Maksoud, Mohamed Ali al-Badri, Christian Lorenz, Jonathan Essex

Version 1 posted 16 November 2022

130

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Biological and Medicinal Chemistry

Chemical Proteomics-based Target Prioritization through a Residue Agnostic Ligandability Assessment Platform

Fettah Erdogan, Raiyan Chowdhury, Serap Beldar, Tom Bobby Chandy, Rebecca G. Allan, Elvin D. de Araujo, Patrick T. Gunning

Version 1 posted 29 December 2023

517

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Theoretical and Computational Chemistry

Fake it until you make it? Generative De Novo Design and Virtual Screening of Synthesizable Molecules

Megan Stanley, Marwin Segler

Version 2 posted 12 July 2023

1,271

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