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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 20
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Research Article

Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate

Aysha Fatimaa S.O.S in Chemistry, Jiwaji University, Gwalior, India;d Department of Chemistry, CMP College, University of Allahabad, Prayagraj, IndiaView further author information
,
Ghazala Khanuma S.O.S in Chemistry, Jiwaji University, Gwalior, IndiaView further author information
,
Sanjay Kumar Srivastavaa S.O.S in Chemistry, Jiwaji University, Gwalior, IndiaView further author information
,
Prabuddha Bhattacharyab Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata, IndiaView further author information
,
Akram Alid Department of Chemistry, CMP College, University of Allahabad, Prayagraj, IndiaView further author information
,
Himanshu Arorae Department of Chemistry, University of Allahabad, Prayagraj, IndiaORCID Iconhttps://orcid.org/0000-0001-6990-8568View further author information
ORCID Icon,
Nazia Siddiquic Department of Chemistry, Dayalbagh Educational Institute, Agra, IndiaCorrespondence[email protected]
View further author information
&
Saleem Javede Department of Chemistry, University of Allahabad, Prayagraj, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-4623-100XView further author information
ORCID Icon show all
Pages 10411-10429 | Received 22 Aug 2022, Accepted 10 Dec 2022, Published online: 21 Feb 2023

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