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
Journal of Biomolecular Structure and Dynamics Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer’s disease. By Saleem Iqbal, 4 years ago
Journal of Biomolecular Structure and Dynamics Synthesis, antimicrobial activities, docking studies and computational calculations of new bis-1,4-phenylene -1H-1,2,3-triazole derivatives utilized ultrasonic energy. By Sahar Soror, 4 years ago
Journal of Biomolecular Structure and Dynamics β-Lactoglobulin-gold nanoparticles interface and its interaction with some anticancer drugs – an approach for targeted drug delivery. By Manik N. Waghmare, 4 years ago
Journal of Biomolecular Structure and Dynamics Applying high throughput and comprehensive immunoinformatics approaches to design a trivalent subunit vaccine for induction of immune response against emerging human coronaviruses SARS-CoV, MERS-CoV and SARS-CoV-2. By Abolfazl Rahmani, 4 years ago
Journal of Biomolecular Structure and Dynamics Structural investigation, DNA interactions and in vitro anticancer studies of transition metal complexes of 3-(2-(2, 4-dihydroxy benzylidene) hydrazinyl) quinoxalin-2(1H) -one. By Panaganti Sukanya, 4 years ago
Journal of Biomolecular Structure and Dynamics Structural similarity-based prediction of host factors associated with SARS-CoV-2 infection and pathogenesis. By Ritudhwaj Tiwari, 4 years ago