Journal of Biomolecular Structure and Dynamics Synthesis, molecular docking and ADME studies of thiazole-thiazolidinedione hybrids as antimicrobial agents. By Shankar G. Alegaon, 4 years ago
Journal of Biomolecular Structure and Dynamics Identification of novel anti-cancer agents, applying in silico method for SENP1 protease inhibition. By Somayye Taghvaei, 4 years ago
Journal of Biomolecular Structure and Dynamics Marine phycocompound screening reveals a potential source of novel senotherapeutics. By Rahagir Salekeen, 4 years ago
Journal of Biomolecular Structure and Dynamics Repurposing of FDA approved drugs and their validation against potential drug targets for Salmonella enterica through molecular dynamics simulation. By Akanksha Kesharwani, 4 years ago
Journal of Biomolecular Structure and Dynamics Discovery of RTA ricin subunit inhibitors: a computational study using PM7 quantum chemical method and steered molecular dynamics. By Elton José Ferreira Chaves, 4 years ago
Journal of Biomolecular Structure and Dynamics Impact of dimerization and N3 binding on molecular dynamics of SARS-CoV and SARS-CoV-2 main proteases. By Mustafa Tekpinar, 4 years ago
Journal of Biomolecular Structure and Dynamics Molecular docking and molecular dynamic studies: screening of phytochemicals against EGFR, HER2, estrogen and NF-KB receptors for their potential use in breast cancer. By Gurubasavaraj Swamy Purawarga Matada, 4 years ago
Journal of Biomolecular Structure and Dynamics Insight into the binding mechanism of macrolide antibiotic; erythromycin to calf thymus DNA by multispectroscopic and computational approaches. By Nahid Shahabadi, 4 years ago
Journal of Biomolecular Structure and Dynamics Flavonol morin targets host ACE2, IMP-α, PARP-1 and viral proteins of SARS-CoV-2, SARS-CoV and MERS-CoV critical for infection and survival: a computational analysis. By Anamika Gupta, 4 years ago
Journal of Biomolecular Structure and Dynamics A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions. By Rana Rehan Khalid, 4 years ago