3D conformation and crystal interaction insights into drug development challenges for HCV drug analogues via molecular simulations.

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Title: 3D conformation and crystal interaction insights into drug development challenges for HCV drug analogues via molecular simulations.
Authors: Hong, Richard S.1,2 (AUTHOR), Mattei, Alessandra1 (AUTHOR), Tuckerman, Mark E.2,3,4 (AUTHOR) mark.tuckerman@nyu.edu, Sheikh, Ahmad Y.1 (AUTHOR) ahmad.sheikh@abbvie.com
Source: Communications Chemistry. 8/5/2025, Vol. 8 Issue 1, p1-11. 11p.
Database: Academic Search Ultimate
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ISSN:23993669
DOI:10.1038/s42004-025-01618-8