Mpropred: A machine learning (ML) driven Web-App for bioactivity prediction of SARS-CoV-2 main protease (Mpro) antagonists

Nadim Ferdous; Mahjerin Nasrin Reza; Mohammad Uzzal Hossain; Shahin Mahmud; Suhami Napis; Kamal Chowdhury; A. K. M. Mohiuddin

doi:10.1371/journal.pone.0287179

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Open Access

Peer-reviewed

Research Article

M^propred: A machine learning (ML) driven Web-App for bioactivity prediction of SARS-CoV-2 main protease (M^pro) antagonists

Nadim Ferdous ,

Contributed equally to this work with: Nadim Ferdous, Mahjerin Nasrin Reza

Roles Conceptualization, Data curation, Formal analysis, Methodology

Affiliation Department of Biotechnology and Genetic Engineering, Mawlana Bhashani Science and Technology University, Santosh, Tangail, Bangladesh

https://orcid.org/0000-0003-4240-6829

⨯
Mahjerin Nasrin Reza ,

Contributed equally to this work with: Nadim Ferdous, Mahjerin Nasrin Reza

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software

Affiliation Department of Biotechnology and Genetic Engineering, Mawlana Bhashani Science and Technology University, Santosh, Tangail, Bangladesh
⨯
Mohammad Uzzal Hossain,

Roles Supervision, Validation, Writing – review & editing

Affiliations Department of Pharmacology, Medical Sciences Division, University of Oxford, Oxford, United Kingdom, Bioinformatics Division, National Institute of Biotechnology, Ashulia, Ganakbari, Savar, Dhaka, Bangladesh
⨯
Shahin Mahmud,

Roles Investigation, Supervision, Validation, Writing – review & editing

Affiliation Department of Biotechnology and Genetic Engineering, Mawlana Bhashani Science and Technology University, Santosh, Tangail, Bangladesh
⨯
Suhami Napis,

Roles Conceptualization, Supervision

Affiliation Department of Molecular Biology, Universiti Putra Malaysia, Serdang, Selangor D.E., Malaysia
⨯
Kamal Chowdhury,

Roles Conceptualization, Supervision, Writing – review & editing

Affiliation Biology Department, Claflin University, Orangeburg, SC, United States of America
⨯
A. K. M. Mohiuddin

Roles Conceptualization, Supervision, Validation, Writing – review & editing

* E-mail: akmmohiu@yahoo.com

Affiliation Department of Biotechnology and Genetic Engineering, Mawlana Bhashani Science and Technology University, Santosh, Tangail, Bangladesh

https://orcid.org/0000-0003-4188-6592

⨯

M^propred: A machine learning (ML) driven Web-App for bioactivity prediction of SARS-CoV-2 main protease (M^pro) antagonists

Nadim Ferdous,
Mahjerin Nasrin Reza,
Mohammad Uzzal Hossain,
Shahin Mahmud,
Suhami Napis,
Kamal Chowdhury,
A. K. M. Mohiuddin

Published: June 23, 2023
https://doi.org/10.1371/journal.pone.0287179

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