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Journal of Biomolecular Structure & Dynamics|September 22, 2022
Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targetsNilofer Shaikh, R K Linthoi, K V Swamy, et al.Journal of Biomolecular Structure & Dynamics|September 23, 2022
Bioinformatic analysis of SIRT7 sequence and structureFrancisco Alejandro Lagunas-RangelJournal of Biomolecular Structure & Dynamics|October 14, 2022
Hesperidin potentially interacts with the catalytic site of gamma-secretase and modifies notch sensitive genes and cancer stemness marker expression in colon cancer cells and colonosphereAtul Kumar Singh, Kumari Sunita Prajapati, Shashank KumarJournal of Biomolecular Structure & Dynamics|September 5, 2022
Machine learning-based predictive modeling, virtual screening and biological evaluation studies for identification of potential inhibitors of MMP-13Shahid Parwez, Lalita Panigrahi, Shakil Ahmed, et al.Journal of Biomolecular Structure & Dynamics|September 7, 2022
Design, synthesis, spectroscopic characterizations, in vitro pancreatic lipase as well as tyrosinase inhibition evaluations and in silico analysis of novel aryl sulfonate-naphthalene hybridsAdem Korkmaz, Gülbin Kurtay, Esin Kaya, et al.Journal of Biomolecular Structure & Dynamics|October 10, 2022
A comprehensive computational approach for the identification of structure-based potential pharmacological candidates as selective AKR1B1 and AKR1B10 inhibitors: repurposing of purine alkaloids for the treatment of cancerMubashir Aziz, Syeda Abida Ejaz, Nissren Tamam, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2022
Screening of potential antiplasmodial agents targeting cysteine protease-Falcipain 2: a computational pipelineKanika Verma, Ayush Kumar Lahariya, Garima Verma, et al.Journal of Biomolecular Structure & Dynamics|November 1, 2022
PheroxyPyrabenz and Carbopyrropyridin against major proteins of SARS CoV-2: a comprehensive in-silico molecular docking and dynamics simulation studiesMisbahuddin M Rafeeq, Alaa F Nahhas, Najat Binothman, et al.Journal of Biomolecular Structure & Dynamics|October 30, 2022
Synthesis, crystallographic, DNA binding, and molecular docking/dynamic studies of a privileged chalcone-sulfonamide hybrid scaffold as a promising anticancer agentMoataz Shaldam, Haytham Tawfik, Heba Elmansi, et al.Journal of Biomolecular Structure & Dynamics|October 30, 2022
Developing human olfactory network and exploring olfactory receptor-odorant interactionAnju Sharma, Rajnish Kumar, Pritish VaradwajPageof 935