Journal of Biomolecular Structure and Dynamics Investigations of the molecular mechanism of diltiazem binding to human serum albumin in the presence of metal ions, glucose and urea. By Sara Asadi Farsad, 4 years ago
Journal of Biomolecular Structure and Dynamics Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations. By Raghava R. Sunkara, 4 years ago
Journal of Biomolecular Structure and Dynamics Pharmacoinformatics approaches in the discovery of drug-like antimicrobials of plant origin. By Duaa Ahmad Khan, 4 years ago
Journal of Biomolecular Structure and Dynamics Bioinformatics analysis of extracellular subtilisin E from Bacillus subtilis. By Reza Zolfaghari Emameh, 4 years ago
Journal of Biomolecular Structure and Dynamics Phenothiazine as novel human superoxide dismutase modulators: discovery, optimization, and biological evaluation. By Homa Azizian, 4 years ago
Journal of Biomolecular Structure and Dynamics Imperative role of glycosylation in human MOG-HLA interaction: molecular insights of MOG-Ab associated demyelination. By P. Jayananth, 4 years ago
Journal of Biomolecular Structure and Dynamics Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2. By Sadanandam Namsani, 4 years ago
Journal of Biomolecular Structure and Dynamics Evaluation of binding of potential ADMET/tox screened saquinavir analogues for inhibition of HIV-protease via molecular dynamics and binding free energy calculations. By Amit Jayaswal, 4 years ago
Journal of Biomolecular Structure and Dynamics Discovery of novel heterocyclic amide-based inhibitors: an integrative in-silico approach to targeting soluble epoxide hydrolase. By Zeynab Fakhar, 4 years ago
Journal of Biomolecular Structure and Dynamics Molecular docking and molecular dynamics simulation identify a novel Radicicol derivative that predicts exclusive binding to Plasmodium falciparum Topoisomerase VIB. By Shephali Bansod, 4 years ago