The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the <i>In vitro</i> studies.

<p>The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the <i>In vitro</i> studies.</p>

Publication Details

Journal
Figshare
Published
2024-12-03
DOI
https://doi.org/10.1371/journal.pone.0312866.s001
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
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article

The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the In vitro studies.

Figshare
Computational Drug Discovery Methods
article

The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the In vitro studies.

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Abstract

<p>The detailed methodology for the molecular similarity, the molecular docking, the MD simulations, the ProLIF, the PLIP, the MM-GBSA, the PCAT, and the <i>In vitro</i> studies.</p>

Figshare
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Computational Drug Discovery Methods
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