Journal of Biomolecular Structure and Dynamics The possible effect of microRNA-155 (miR-155) and BACE1 inhibitors in the memory of patients with down syndrome and Alzheimer’s disease: Design, synthesis, virtual screening, molecular modeling and biological evaluations. By Shabnam Mahernia, 4 years ago
Journal of Biomolecular Structure and Dynamics Negative allosteric modulators of cannabinoid receptor 1: Ternary complexes including CB1, orthosteric CP55940 and allosteric ORG27569. By AyoOluwa O. Aderibigbe, 4 years ago
Journal of Biomolecular Structure and Dynamics Virtual screening of epalrestat mimicking selective ALR2 inhibitors from natural product database: auto pharmacophore, ADMET prediction and molecular dynamics approach. By Shalki Choudhary, 4 years ago
Journal of Biomolecular Structure and Dynamics Structure-activity insights of harmine targeting DNA, ROS inducing cytotoxicity with PARP mediated apoptosis against cervical cancer, anti-biofilm formation and in vivo therapeutic study. By Sarita Sarkar, 4 years ago
Journal of Biomolecular Structure and Dynamics Delineation of an epitope recognized by a chikungunya virus anti-capsid monoclonal antibody on the protease domain using an immuno-informatics approach. By Aabha Thite, 4 years ago
Journal of Biomolecular Structure and Dynamics Can molecular dynamics explain decreased pathogenicity in mutant camphecene-resistant influenza virus?. By Sophia S. Borisevich, 4 years ago
Journal of Biomolecular Structure and Dynamics In silico evaluation of lapachol derivatives binding to the Nsp9 of SARS-CoV-2. By Nilson Nicolau Junior, 4 years ago
Journal of Biomolecular Structure and Dynamics In silico design of novel FAK inhibitors using integrated molecular docking, 3D-QSAR and molecular dynamics simulation studies. By Pouria Shirvani, 4 years ago
Journal of Biomolecular Structure and Dynamics ADOPT: automatic deep learning and optimization-based approach for detection of novel coronavirus COVID-19 disease using X-ray images. By Gaurav Dhiman, 4 years ago
Journal of Biomolecular Structure and Dynamics Structural, vibrational, quantum chemical and thermal investigation of a nutraceutical drug in new zwitterionic cocrystal form (nicotinic acid: catechol) with enhanced cytotoxic activity in cervical cancer HeLa cell line. By Arockia Jeya Yasmi Prabha E, 4 years ago