M01 tool: an automated, comprehensive computational tool for generating small molecule-peptide hybrids and docking them into curated protein structures

Abstract Background The field of computational drug design is undergoing rapid advancements, highlighting the need for innovative methods to enhance the efficiency and accuracy of calculating ligand-receptor interactions. In this context, we introduce the M01 tool, a comprehensive computational pack...

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Bibliographic Details
Main Authors: Mahsa Sheikholeslami, Mohammad Hasan Nazari, Afshin Fassihi
Format: Article
Language:English
Published: BMC 2025-04-01
Series:BMC Bioinformatics
Subjects:
Online Access:https://doi.org/10.1186/s12859-025-06120-5
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