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Chemistry

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computer-aided drug discovery

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3 results in Keywords: computer-aided drug discovery

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

294

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by ChemRxiv

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

1,827

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by ChemRxiv

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

810

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by ChemRxiv