Journal of Biomolecular Structure and Dynamics Homology modeling, docking, molecular dynamics and in vitro studies to identify Rhipicephalus microplus acetylcholinesterase inhibitors. By Amanda Ponce Morais Cerqueira, 4 years ago
Journal of Biomolecular Structure and Dynamics A potential peptide inhibitor of SARS-CoV-2 S and human ACE2 complex. By Grijesh Jaiswal, 4 years ago
Journal of Biomolecular Structure and Dynamics Targeting allosteric pockets of SARS-CoV-2 main protease Mpro. By Zahoor Ahmad Bhat, 4 years ago
Journal of Biomolecular Structure and Dynamics Bioactive platinum complex of ligand bearing pyrimidine skeleton: DNA/BSA binding, molecular docking, anticancer, antioxidant and antimicrobial activities. By Murugesan Sankarganesh, 4 years ago
Journal of Biomolecular Structure and Dynamics Role of Cys-298 in specific recognition of glutathione by aldose reductase. By Gurprit Sekhon, 4 years ago
Journal of Biomolecular Structure and Dynamics Investigation into the site-specific binding interactions between chlorogenic acid and ovalbumin using multi-spectroscopic and in silico simulation studies. By Manivel Perumal, 4 years ago
Journal of Biomolecular Structure and Dynamics In silico design of novel tubulin binding 9-arylimino derivatives of noscapine, their chemical synthesis and cellular activity as potent anticancer agents against breast cancer. By Rajesh Kumar Meher, 4 years ago
Journal of Biomolecular Structure and Dynamics In-silico based identification of phytochemicals from Houttuynia cordata Thunb. as potential inhibitors for overexpressed HER2 and VEGFR2 cancer genes. By Sanjib Kumar Das, 4 years ago
Journal of Biomolecular Structure and Dynamics 4-acetamido-3-nitrobenzoic acid – structural, quantum chemical studies, ADMET and molecular docking studies of SARS-CoV2. By Gurumallappa, 4 years ago
Journal of Biomolecular Structure and Dynamics Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations. By Jibin K. Varughese, 4 years ago