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Journal of Biomolecular Structure & Dynamics|December 14, 2023
Perusal on the role of DMF solvent and hydrogen bonding in the formation of 1D polymeric chains in mixed ligand Ni(II) complex as an anticancer agent: a computational approachMaithra Nagaraju, C S Karthik, M K Hema, et al.Journal of Biomolecular Structure & Dynamics|December 18, 2023
Structure-guided screening of protein-protein interaction for the identification of Myc-Max heterodimer complex modulatorsShovonlal Bhowmick, Kunal Roy, Achintya SahaJournal of Biomolecular Structure & Dynamics|December 14, 2023
Understanding the structural basis of the binding specificity of c-di-AMP to M. smegmatis RecA using computational biology approachV L S Prasad Burra, Partha Sarathi Sahoo, Amit Dhankhar, et al.Journal of Biomolecular Structure & Dynamics|December 19, 2023
Machine learning and experimental screening of chromatin regulator signatures and potential drugs in hepatitis B related hepatocellular carcinomaCaixia Jia, Jianxin Chen, Xueting Wang, et al.Journal of Biomolecular Structure & Dynamics|December 19, 2023
Benzothiazole derivatives as p53-MDM2 inhibitors: in-silico design, ADMET predictions, molecular docking, MM-GBSA Assay, MD simulations studiesShridhar Deshpande N, Shivakumar, Udaya Kumar D, et al.Journal of Biomolecular Structure & Dynamics|December 20, 2023
Acetyl barlerin from Barleria trispinosa induces chemopreventive NQO1 and attenuates LPS-induced inflammation: in vitro and molecular dynamic studiesHamza M Assiry, Ahmed R Hamed, Gamal A Mohamed, et al.Journal of Biomolecular Structure & Dynamics|December 20, 2023
Leveraging immunoinformatics for developing a multi-epitope subunit vaccine against Helicobacter pylori and Fusobacterium nucleatumTanjin Tamanna, Md Shahedur RahmanJournal of Biomolecular Structure & Dynamics|December 12, 2023
Inhibition mechanism understanding from molecular dynamics simulation of the interactions between several flavonoids and proton-dependent glucose transporterXianyang Zeng, Risong Na, Lianjuan Yang, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2023
De novo drug designing coupled with brute force screening and structure guided lead optimization gives highly specific inhibitor of METTL3: a potential cure for Acute Myeloid LeukaemiaManisha Ganguly, Radhika Gupta, Amlan Roychowdhury, et al.Journal of Biomolecular Structure & Dynamics|December 4, 2023
Aggregation and cytotoxicity of food additive dye (Azorubine)-albumin adducts: a multi-spectroscopic, microscopic and computational analysisMohd Shahnawaz Khan, Md Tabish Rehman, Gouse M Shaik, et al.Pageof 935