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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 3
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Research Articles

Molecular dynamics simulation and free energy calculation studies of Coagulin L as dipeptidyl peptidase-4 inhibitor

Amit Singha Department of Pharmacology, Institute of Medical Sciences, Banaras Hindu University, Varanasi, India
&
Abha Mishrab School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi, IndiaCorrespondence[email protected]
Pages 1128-1138 | Received 04 Jun 2020, Accepted 08 Sep 2020, Published online: 20 Oct 2020

Citations (5)

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Sonali Kumari, Ravi Saini & Abha Mishra. (2023) Phytochemical profiling and evaluation of the antidiabetic potential of Ichnocarpus frutescens (Krishna Sariva): kinetic study, molecular modelling, and free energy approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Amit Singh & Abha Mishra. (2023) Investigation of molecular mechanism leading to gefitinib and osimertinib resistance against EGFR tyrosine kinase: molecular dynamics and binding free energy calculation. Journal of Biomolecular Structure and Dynamics 41:10, pages 4534-4548.
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Articles from other publishers (3)

Daniela Istrate & Luminita Crisan. (2023) Dipeptidyl Peptidase 4 Inhibitors in Type 2 Diabetes Mellitus Management: Pharmacophore Virtual Screening, Molecular Docking, Pharmacokinetic Evaluations, and Conceptual DFT Analysis. Processes 11:11, pages 3100.
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Sonali Kumari, Ravi Saini, Aditi Bhatnagar & Abha Mishra. (2023) HR-LCMS and evaluation of anti-diabetic activity of Hemidesmus indicus (anantmool): Kinetic study, and molecular modelling approach. Computational Biology and Chemistry 105, pages 107896.
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Harshit Sajal, Shashank M. Patil, Ranjith Raj, Abdullah M. Shbeer, Mohammed Ageel & Ramith Ramu. (2022) Computer-Aided Screening of Phytoconstituents from Ocimum tenuiflorum against Diabetes Mellitus Targeting DPP4 Inhibition: A Combination of Molecular Docking, Molecular Dynamics, and Pharmacokinetics Approaches. Molecules 27:16, pages 5133.
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