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Journal of Biomolecular Structure & Dynamics|September 27, 2021
An effort to find new α-amylase inhibitors as potent antidiabetics compounds based on indole-based-thiadiazole analogsMuhammad Taha, Nizam Uddin, Syed Muhammad Saad, et al.Journal of Biomolecular Structure & Dynamics|October 4, 2021
Identification of novel small molecule inhibitors for endoplasmic reticulum oxidoreductase 1α (ERO1α) enzyme: structure-based molecular docking and molecular dynamic simulation studiesHussam Albassam, Chetan H Mehta, Usha Y NayakJournal of Biomolecular Structure & Dynamics|February 7, 2022
Enabling CT-Scans for covid detection using transfer learning-based neural networksAnkit Kumar Dubey, Krishna Kumar MohbeyJournal of Biomolecular Structure & Dynamics|February 9, 2022
In silico evaluation of binding of phytochemicals from bayati (Anamirta cocculus Linn) to the glutathione-s-transferase of Asian Corn Borer (Ostrinia furnacalis Guenée)Melvin A Castrosanto, Annabelle T Abrera, Marlon N Manalo, et al.Journal of Biomolecular Structure & Dynamics|February 8, 2022
Computational investigation of the alkaloids of Pilocarpus microphyllus species as phytopharmaceuticals for the inhibition of sterol 14α-demethylase protease of Trypanosoma cruziÉzio R A de Sá, Janilson L Souza, Rayla K M Costa, et al.Journal of Biomolecular Structure & Dynamics|February 8, 2022
Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agentsGozde Yalcin-Ozkat, Ronak H Ersan, Mahmut Ulger, et al.Journal of Biomolecular Structure & Dynamics|February 2, 2022
Deciphering the molecular mechanisms of selective non-covalency demonstrated differentially by 9-Allylnaphtho[1,8-ef]isoindole-7,8,10(9H)-trione (C11) against fibroblast growth factor receptors 1-4Fisayo A Olotu, Mahmoud E S SolimanJournal of Biomolecular Structure & Dynamics|June 20, 2019
Design and development of novel therapeutics for coronary heart disease treatment based on cholesteryl ester transfer protein inhibition - in silico approachTomislav Kostić, Marina Deljanin Ilić, Zoran Perišić, et al.Journal of Biomolecular Structure & Dynamics|June 28, 2019
Exploring toxicity of perfluorinated compounds through complex network and pathway modelingXinhe Liu, Yu Zhu, Tingting Liu, et al.Journal of Biomolecular Structure & Dynamics|February 23, 2022
Isolation and biological evaluation 7-hydroxy flavone from Avicennia officinalis L: insights from extensive in vitro, DFT, molecular docking and molecular dynamics simulation studiesA Parthiban, V Sachithanandam, P Lalitha, et al.Pageof 930