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Journal of Biomolecular Structure & Dynamics|October 3, 2023
Synthesis, characterization, antiproliferative activity, docking, and molecular dynamics simulation of new 1,3-dihydro-2H-benzimidazol-2-one derivativesSenem Akkoc, Dicle Sahin, Muhammed Tilahun Muhammed, et al.Journal of Biomolecular Structure & Dynamics|September 23, 2023
Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysisHuayin Bao, Weikai He, Jianzhong ChenJournal of Biomolecular Structure & Dynamics|September 19, 2023
Side effects based network construction and drug repositioning of ropinirole as a potential molecule for Alzheimer's disease: an in-silico, in-vitro, and in-vivo studyAmritha Chakkittukandiyil, Saurav Chakraborty, Ram Kothandan, et al.Journal of Biomolecular Structure & Dynamics|September 19, 2023
XGBoost odor prediction model: finding the structure-odor relationship of odorant molecules using the extreme gradient boosting algorithmPankaj Tyagi, Anju Sharma, Rahul Semwal, et al.Journal of Biomolecular Structure & Dynamics|September 19, 2023
Designing a novel multi-epitopes pan-vaccine against SARS-CoV-2 and seasonal influenza: in silico and immunoinformatics approachMatin Fathollahi, Hamid Motamedi, Hadi Hossainpour, et al.Journal of Biomolecular Structure & Dynamics|September 13, 2024
Molecular interaction studies of L-proline in water and ethanol at different temperatures using dielectric relaxation, refractive index and DFT methodsK Aiswarya, T Vishwam, T Vamshi Prasad, et al.Journal of Biomolecular Structure & Dynamics|October 15, 2024
Structure-based computer-aided drug design to identify potential lead molecules for Asparaginyl Endopeptidase inhibitorsMeenakshi Singh, Ian Steinke, Rajesh H AminJournal of Biomolecular Structure & Dynamics|September 25, 2024
In silico study of some plant compounds as potential anticancer agents targeting MALT1 allosteric domainMohammed M Alshehri, Mohammed Kanan Alshammari, Mohammed Khalid Alghazwni, et al.Journal of Biomolecular Structure & Dynamics|September 19, 2024
Cheminformatics-enhanced discovery of therapeutic agents targeting isocitrate lyase in Mycobacterium tuberculosis infectionsAftab Alam, Mohammed H Alqarni, Bader S Alotaibi, et al.Journal of Biomolecular Structure & Dynamics|August 7, 2023
Machine learning-based ensemble approach in prediction of lung cancer predisposition using XRCC1 gene polymorphismAbhishek Choudhary, Adarsh Anand, Amrita Singh, et al.Pageof 935