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
Structural stability predictions and molecular dynamics simulations of RBD and HR1 mutations associated with SARS-CoV-2 spike glycoprotein. By Shahzaib Ahamad, 4 years ago
Journal of Biomolecular Structure and Dynamics Structure and ligand-based drug discovery of IL-4 inhibitors via interaction-energy-based learning approaches. By Sehrish Naz, 4 years ago
Journal of Biomolecular Structure and Dynamics In silico evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2. By Rajesh Kumar M., 4 years ago
Journal of Biomolecular Structure and Dynamics In depth analysis on the carbohydrate-binding properties of a vasorelaxant lectin from Dioclea lasiophylla Mart Ex. Benth seeds. By Benildo Sousa Cavada, 4 years ago
Journal of Biomolecular Structure and Dynamics Identifying novel putative ERK1/2 inhibitors via hybrid scaffold hopping –FBDD approach. By Shelly Pathania, 4 years ago
Journal of Biomolecular Structure and Dynamics Identification of the binding interactions of some novel antiviral compounds against Nsp1 protein from SARS-CoV-2 (COVID-19) through high throughput screening. By Nilkanta Chowdhury, 4 years ago
Journal of Biomolecular Structure and Dynamics An immunoprophylactic evaluation of Ld-ODC derived HLA-A0201 restricted peptides against visceral leishmaniasis. By Raj Kishor Pandey, 4 years ago
Journal of Biomolecular Structure and Dynamics In silico prediction of SARS-CoV-2 main protease and polymerase inhibitors: 3D-Pharmacophore modelling. By Mona Mosayebnia, 4 years ago
Journal of Biomolecular Structure and Dynamics Exploring the cancer-testis antigen BORIS to design a novel multi-epitope vaccine against breast cancer based on immunoinformatics approaches. By Elham Mahdevar, 4 years ago