Journal of Biomolecular Structure and Dynamics
Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutin
Volume 40, Issue 11, July 2022, Page 4987-4999.
Journal of Biomolecular Structure and Dynamics
Prediction of potential inhibitors against SARS-CoV-2 endoribonuclease: RNA immunity sensing
Volume 40, Issue 11, July 2022, Page 4879-4892.
Journal of Biomolecular Structure and Dynamics
Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes
Volume 40, Issue 11, July 2022, Page 4905-4920.
Journal of Biomolecular Structure and Dynamics
Computational approach to explore the inhibitory potential of biologically derived compounds against Spodoptera litura vitellogenin receptor (VgR) using structure based virtual screening and molecular dynamics
Volume 40, Issue 11, July 2022, Page 4954-4960.
Journal of Biomolecular Structure and Dynamics
Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation
Volume 40, Issue 11, July 2022, Page 4933-4953.
Journal of Biomolecular Structure and Dynamics
Role of Thr199 residue in human β-carbonic anhydrase-II pH-dependent activity elucidated by microsecond simulation analysis
Volume 40, Issue 11, July 2022, Page 5016-5025.
Journal of Biomolecular Structure and Dynamics
A conserved arginine residue in a staphylococcal anti-sigma factor is required to preserve its kinase activity, structure, and stability
Volume 40, Issue 11, July 2022, Page 4972-4986.
Journal of Biomolecular Structure and Dynamics
Comparative in vitro and DFT antioxidant studies of phenolic group substituted pyridine-based azo derivatives
Volume 40, Issue 11, July 2022, Page 4921-4932.
Journal of Biomolecular Structure and Dynamics
Identification of potential non-nucleoside MraY inhibitors for tuberculosis chemotherapy using structure-based virtual screening
Volume 40, Issue 11, July 2022, Page 4832-4849.