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Journal of Biomolecular Structure & Dynamics|January 11, 2023
AlteQ: a new complementarity principle-centered method for the evaluation of docking posesShivananda Kandagalla, Maria Grishina, Jurica Novak, et al.Journal of Biomolecular Structure & Dynamics|October 18, 2021
Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble dockingShivananda Kandagalla, Jurica Novak, Sharath Belenahalli Shekarappa, et al.International Journal of Medicinal Mushrooms|April 25, 2022
Novel Insights into the Bioactive Metabolites of Macrocybe gigantea (Agaricomycetes), Using Gas Chromatography-Mass Spectrometry Combined with Chemoinformatic ApproachesReena D Roy, Shivananda Kandagalla, Vinu Krishnappa, et al.Journal of Biomolecular Structure & Dynamics|May 21, 2021
Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble dockingJurica Novak, Hrvoje Rimac, Shivananda Kandagalla, et al.Journal of Molecular Graphics & Modelling|September 26, 2020
Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitorsShivananda Kandagalla, Sharath Belenahalli Shekarappa, Hrvoje Rimac, et al.Computational Biology and Chemistry|November 22, 2019
A systems biology approach to identify the key targets of curcumin and capsaicin that downregulate pro-inflammatory pathways in human monocytesSharath Belenahalli Shekarappa, Shivananda Kandagalla, Vikas H Malojirao, et al.3 Biotech|October 24, 2022
A systems biology investigation of curcumin potency against TGF-β-induced EMT signaling in lung cancerShivananda Kandagalla, B S Sharath, Ankith Sherapura, et al.Apoptosis : an International Journal on Programmed Cell Death|November 27, 2021
Anti-neoplastic pharmacophore benzophenone-1 coumarin (BP-1C) targets JAK2 to induce apoptosis in lung cancerAnkith Sherapura, Vikas H Malojirao, Prabhu Thirusangu, et al.Pageof 2