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Journal of Biomolecular Structure & Dynamics|November 10, 2023
Oxazoline/amide derivatives against M. tuberculosis: experimental, biological and computational investigationsPriyanka Bajpai, Ankit Kumar Singh, Shivanada Kandagalla, et al.Journal of Biomolecular Structure & Dynamics|November 10, 2023
Molecular modelling reveals how abundance of α4 sub-type in synaptic GABARA receptor can lead to refractoriness toward GABA and BZ-type drugsTanusree Chaudhuri, M V HosurJournal of Biomolecular Structure & Dynamics|November 6, 2023
Molecular docking, simulations of animal peptides against the envelope protein of Dengue virusReena Guntamadugu, Ranjani Ramakrishnan, Gowtham Darala, et al.Journal of Biomolecular Structure & Dynamics|November 9, 2023
Artificial intelligence based de-novo design for novel Plasmodium falciparum plasmepsin (PM) X inhibitorsSsemuyiga Charles, Rajani Kanta MahapatraJournal of Biomolecular Structure & Dynamics|November 9, 2023
Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylateAysha Fatima, Ghazala Khanum, Sanjay Kumar Srivastava, et al.Journal of Biomolecular Structure & Dynamics|November 8, 2023
A highly selective and sensitive fluorescence probe for dopamine determination based on a bisquinoline-substituted calix[4]arene carboxylic acid derivativeSerkan SayinJournal of Biomolecular Structure & Dynamics|June 13, 2024
Insights into the dynamic interactions of RNase a and osmolytes through computational approachesAshal Ilyas, Nitesh Kumar Poddar, Subhomoi BorkotokyJournal of Biomolecular Structure & Dynamics|August 24, 2023
A structural-based virtual screening and in vitro validation reveals novel effective inhibitors for SARS-CoV-2 helicase and endoribonucleaseIbrahim M Ibrahim, Abdo A Elfiky, Sara H Mahmoud, et al.Journal of Biomolecular Structure & Dynamics|August 21, 2023
Exploring potential Plasmodium kinase inhibitors: a combined docking, MD and QSAR studiesSèlonou Gautier Kankinou, Muslum Yildiz, Abdulkadir KocakJournal of Biomolecular Structure & Dynamics|August 24, 2023
In silico analysis of Diosmetin as an effective chemopreventive agent against prostate cancer: molecular docking, validation, dynamic simulation and pharmacokinetic prediction-based studiesSumit Sheoran, Swati Arora, Tanmayee Basu, et al.Pageof 931