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Journal of Biomolecular Structure & Dynamics|May 9, 2023
Reconnoitering imidazopyridazines as anticancer agents based on virtual modelling approach: quantitative structure activity relationship, molecular docking and molecular dynamicsKhandekar Mangala, Walhekar Vinayak, Choudhary Aasiya, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
The potential of phytochemicals against epidermal growth factor receptor tyrosine kinase (EGFRK): an insight from molecular dynamic simulationsFabliha Bashashat Rodosy, Md Abul Kalam Azad, Sajal Kumar Halder, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
Dynamacophore model for breast cancer estrogen receptor alpha as an effective lead generation screening techniqueDhivya Shanmugarajan, Anagha Biju, Dona Sibi, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
Computational investigation of Moringa oleifera phytochemicals targeting EGFR: molecular docking, molecular dynamics simulation and density functional theory studiesMuhammad Abrar Yousaf, Sadia Anjum Anwer, Shefin Basheera, et al.Journal of Biomolecular Structure & Dynamics|May 13, 2023
Computational identification and analysis of deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in the human POR gene: a structural and functional impactRajalakshmi Kumar, Manikandan Jayaraman, Krishna Ramadas, et al.Journal of Biomolecular Structure & Dynamics|May 13, 2023
Antimicrobial potential of phytocompounds of Acorus calamus: in silico approachKumari Shalini, Shikha Guleria, Deeksha Salaria, et al.Journal of Biomolecular Structure & Dynamics|May 15, 2023
Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studiesJ Abhithaj, C S Sharanya, K G Arun, et al.Journal of Biomolecular Structure & Dynamics|May 15, 2023
Identification of potential inhibitors of tropomyosin receptor kinase B targeting CNS-related disorders and cancersMohammed Ageeli Hakami, Bader S Alotaibi, Ali Hazazi, et al.Journal of Biomolecular Structure & Dynamics|May 15, 2023
Intercalation of anticancer drug Palbociclib with calf-thymus DNA: new insights from molecular spectroscopic, molecular dynamic simulations and cleavage studiesR Durga Priyadharshini, R Jeyashree, R Preethi, et al.Journal of Biomolecular Structure & Dynamics|May 17, 2023
Structure-based virtual screening of anti-breast cancer compounds from Artemisia absinthium-insights through molecular docking, pharmacokinetics, and molecular dynamic simulationsSuvathika Gnanaselvan, Sangilimuthu Alagar Yadav, Sowmya Priya ManoharanPageof 935