Department of Biochemistry – Page 7650 – Department of Biochemistry

Journal of Biomolecular Structure and Dynamics

Identification of potential SARS-CoV-2 Mpro inhibitors integrating molecular docking and water thermodynamics

Volume 40, Issue 11, July 2022, Page 5079-5089.

By M. Elizabeth Sobhia, 4 years ago

Journal of Biomolecular Structure and Dynamics

Structural aspects of β-glucosidase of Myceliophthora thermophila (MtBgl3c) by homology modelling and molecular docking

Volume 40, Issue 11, July 2022, Page 5211-5228.

By Anica Dadwal, 4 years ago

Journal of Biomolecular Structure and Dynamics

Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation

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By Samuel C. Ugbaja, 4 years ago

Journal of Biomolecular Structure and Dynamics

Shell disorder and the HIV vaccine mystery: lessons from the legendary Oswald Avery

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By Gerard Kian-Meng Goh, 4 years ago

Journal of Biomolecular Structure and Dynamics

Exploring the binding interactions of janus green blue with serum albumins from spectroscopic and calorimetric studies aided by in silico calculations

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By Saumen Saha, 4 years ago

Journal of Biomolecular Structure and Dynamics

Utilization of O/S-doped graphene nanoclusters for ultrasensitive detection of flurane derivatives-DFT investigations

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By Jamelah S. Al-Otaibi, 4 years ago

Journal of Biomolecular Structure and Dynamics

Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach

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By Fernanda D. Botelho, 4 years ago

Journal of Biomolecular Structure and Dynamics

Virtual screening and repurposing of FDA-approved drugs from ZINC database to identify potential autophagy inhibitors exploiting autophagy related 4A cysteine peptidase as a target: potential as novel anti-cancer molecule.

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By Umesh, 4 years ago

Journal of Biomolecular Structure and Dynamics

Inhibition of biofilm formation, quorum sensing and other virulence factors in Pseudomonas aeruginosa by polyphenols of Gynura procumbens leaves

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By Zulkar Nain, 4 years ago

Journal of Biomolecular Structure and Dynamics

In silico design of multi-epitope-based peptide vaccine against SARS-CoV-2 using its spike protein

Volume 40, Issue 11, July 2022, Page 5189-5202.

By Debarghya Mitra, 4 years ago