Search

Categories

Biological and Medicinal Chemistry

(3)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Review

(1)

Working Paper

(2)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Computer-Aided Drug Discovery

Authors

3 results in Keywords: Computer-Aided Drug Discovery

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

1,210

Downloads

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

487

Downloads

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

125

Downloads