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Journal of Biomolecular Structure & Dynamics|June 26, 2020
Alzheimer's disease: unraveling APOE4 binding to amyloid-beta peptide and lipids with molecular dynamics and quantum mechanicsJean-Numa GilletJournal of Biomolecular Structure & Dynamics|May 1, 2021
Exploring multi-target inhibitors using in silico approach targeting cell cycle dysregulator-CDK proteinsBasharat Ahmed, Sara Khan, Faisal Nouroz, et al.Journal of Biomolecular Structure & Dynamics|May 3, 2021
In silico identification and validation of triarylchromones as potential inhibitor against main protease of severe acute respiratory syndrome coronavirus 2Vaishali Chandel, Garima Tripathi, Seema A Nayar, et al.Journal of Biomolecular Structure & Dynamics|May 6, 2021
In-silico evidences on filarial cystatin as a putative ligand of human TLR4Nabarun Chandra Das, Parth Sarthi Sen Gupta, Satyaranjan Biswal, et al.Journal of Biomolecular Structure & Dynamics|May 10, 2021
Theoretical study of the vibrational properties of L-alanine and its zwitterionic form in the gas phase and in solutionMyriam Rahmani, Mohammed El Amine BenmaltiJournal of Biomolecular Structure & Dynamics|May 10, 2021
Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptorsIqrar Ahmad, Dileep Kumar, Harun PatelJournal of Biomolecular Structure & Dynamics|June 16, 2020
Repurposing cefuroxime for treatment of COVID-19: a scoping review of in silico studiesAshimiyu B Durojaiye, John-Ross D Clarke, George A Stamatiades, et al.Journal of Biomolecular Structure & Dynamics|January 27, 2023
Robust anti-inflammatory activity of genistein against neutrophil elastase: a microsecond molecular dynamics simulation studySmruti Sudha Nayak, Vino SundararajanJournal of Biomolecular Structure & Dynamics|January 29, 2023
In silico approach to identify novel allosteric intracellular antagonist for blocking the interleukin-8/CXCR2 receptor signaling pathwayThi-Thuy-Nga Tran, Que-Huong Tran, Cuong Quoc Duong, et al.Journal of Biomolecular Structure & Dynamics|January 29, 2023
Binding elucidation of azo dyes with human serum albumin via spectroscopic approaches and molecular docking techniquesAmineh Mousazadeh Moghaddam Pour, Hamid DezhampanahPageof 932