Department of Biochemistry – Page 7651 – Department of Biochemistry

Journal of Biomolecular Structure and Dynamics

Monte-Carlo method-based QSAR model to discover phytochemical urease inhibitors using SMILES and GRAPH descriptors

Volume 40, Issue 11, July 2022, Page 5090-5099.

By Kumar Sambhav Chopdar, 4 years ago

Journal of Biomolecular Structure and Dynamics

In-silico identification of potential inhibitors targeting the DNA binding domain of estrogen receptor α for the treatment of hormone therapy-resistant breast cancer

Volume 40, Issue 11, July 2022, Page 5203-5210.

By El Mehdi Bouricha, 4 years ago

Journal of Biomolecular Structure and Dynamics

Virtual screening of curcumin and its analogs against the spike surface glycoprotein of SARS-CoV-2 and SARS-CoV

Volume 40, Issue 11, July 2022, Page 5138-5146.

By Ashish Patel, 4 years ago

Journal of Biomolecular Structure and Dynamics

Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using in silico methods

Volume 40, Issue 11, July 2022, Page 5112-5127.

By Pushyaraga P. Venugopal, 4 years ago

Journal of Biomolecular Structure and Dynamics

Computational studies of membrane pore formation induced by Pin2

Volume 40, Issue 11, July 2022, Page 5060-5068.

By José-Luis Velasco-Bolom, 4 years ago

Journal of Biomolecular Structure and Dynamics

Shedding light on the bimolecular interactions of Cafaminol and human serum albumin: spectroscopic characterization and in-silico investigation

Volume 40, Issue 11, July 2022, Page 4893-4904.

By Negar Parvizi, 4 years ago

Journal of Biomolecular Structure and Dynamics

Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigation

Volume 40, Issue 11, July 2022, Page 5147-5158.

By Reena Yadav, 4 years ago

Journal of Biomolecular Structure and Dynamics

Fisetin 8-C-glucoside as entry inhibitor in SARS CoV-2 infection: molecular modelling study

Volume 40, Issue 11, July 2022, Page 5128-5137.

By Abha Mishra, 4 years ago

Journal of Biomolecular Structure and Dynamics

Revealing the cholinergic inhibition mechanism of Alzheimer’s by galantamine: a metadynamics simulation study

Volume 40, Issue 11, July 2022, Page 5100-5111.

By Shibaji Ghosh, 4 years ago

Journal of Biomolecular Structure and Dynamics

Ensemble-based high-throughput virtual screening of natural ligands using the Super Natural-II database against cell-wall protein dTDP-4-dehydrorhamnose reductase (RmlD) in Mycobacterium tuberculosis

Volume 40, Issue 11, July 2022, Page 5069-5078.

By Rahul Ravichandran, 4 years ago