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Journal of Biomolecular Structure & Dynamics|October 14, 2023
DeepADRA2A: predicting adrenergic α2a inhibitors using deep learningNitin Wankhade, Ummireddy Dayasagar, Anju Sharma, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2023
Identification of phytochemicals as putative ligands for the targeted modulation of peroxisome proliferator-activated receptor α (PPARα) in animalsFaiz-Ul Hassan, M Saif-Ur Rehman, Maryam Javed, et al.Journal of Biomolecular Structure & Dynamics|November 3, 2023
An in silico approach to evaluate the bindings of natural flavonoids and RNA-DNA hybridsSoma Roy, Santanu BhattacharyaJournal of Biomolecular Structure & Dynamics|November 3, 2023
Developing reliable classification of dual IDO1/TDO inhibitors using data fusion and majority votingZahra Ghaemi, M Asadollahi-BaboliJournal of Biomolecular Structure & Dynamics|November 1, 2023
Exploring the potential of biologically active phenolic acids from marine natural products as anticancer agents targeting the epidermal growth factor receptorMiah Roney, Abdul Rashid Issahaku, Akm Moyeenul Huq, et al.Journal of Biomolecular Structure & Dynamics|October 30, 2023
Modeling and monitoring the effects of three partly conserved Ile residues in the dimerization domain of a Mip-like virulence factor from Escherichia coliSoham Seal, Tushar Chakraborty, Soumitra Polley, et al.Journal of Biomolecular Structure & Dynamics|November 1, 2023
Synthesis, characterization, molecular docking and molecular dynamics simulations of novel 2,5-disubstituted-1,3,4-thiadiazole derivatives as potential cholinesterase/monoamine oxidase dual inhibitors for Alzheimer's diseaseAmal A Al-Sharabi, Asaf Evrim Evren, Begüm Nurpelin Sağlık, et al.Journal of Biomolecular Structure & Dynamics|November 1, 2023
Screening a library of potential competitive inhibitors against bacterial threonyl-tRNA synthetase: DFT calculationsMohamed M Aboelnga, James W GauldJournal of Biomolecular Structure & Dynamics|October 31, 2023
Structural and functional analysis of a novel galactose-binding lectin derived from Chlorella sorokiniana MW769776Roopashri N Arekal, Savitha J, Ashwini Kumar, et al.Journal of Biomolecular Structure & Dynamics|November 8, 2023
Exploring imidazo[4,5-g]quinoline-4,9-dione derivatives as Acinetobacter baumannii efflux pump inhibitor: an in silico approachPownraj Brindangnanam, Krishnan Ashokkumar, Sriraghavan Kamaraj, et al.Pageof 932