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Journal of Biomolecular Structure & Dynamics|March 15, 2021
Alkaloids of Adhatoda vasica Nees. as potential inhibitors of cyclooxygenases - an in-silico studyPrasanth Ghanta, Mukesh Doble, Basavaraju RamaiahJournal of Biomolecular Structure & Dynamics|March 15, 2021
Microsecond simulation analysis of carbonic anhydrase - II in complex with (+)-cathechin revealed molecular interactions responsible for its amelioration effect on fluoride toxicityPulala Raghuveer Yadav, Syed Hussain Basha, Sadam D V Satyanarayana, et al.Journal of Biomolecular Structure & Dynamics|March 8, 2021
Identification of novel allosteric binding sites and multi-targeted allosteric inhibitors of receptor and non-receptor tyrosine kinases using a computational approachKavita Kumari Kakarala, Kaiser JamilJournal of Biomolecular Structure & Dynamics|March 5, 2021
Phenothiazine as novel human superoxide dismutase modulators: discovery, optimization, and biological evaluationHoma Azizian, Simin Forooghian, Arash Amanlou, et al.Journal of Biomolecular Structure & Dynamics|March 5, 2021
Bioinformatics analysis of extracellular subtilisin E from Bacillus subtilisReza Zolfaghari Emameh, Justina Kazokaitė, Bagher YakhchaliJournal of Biomolecular Structure & Dynamics|January 29, 2021
Structural investigation, DNA interactions and in vitro anticancer studies of transition metal complexes of 3-(2-(2, 4-dihydroxy benzylidene) hydrazinyl) quinoxalin-2(1H) -onePanaganti Sukanya, Chittireddy Venkata Ramana ReddyJournal of Biomolecular Structure & Dynamics|February 1, 2021
Synthesis, antimicrobial activities, docking studies and computational calculations of new bis-1,4-phenylene -1H-1,2,3-triazole derivatives utilized ultrasonic energySahar Soror, Asmaa M Fahim, Samia Elabbady, et al.Journal of Biomolecular Structure & Dynamics|February 1, 2021
Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer's diseaseSaleem Iqbal, Raju Potharaju, S Naveen, et al.Journal of Biomolecular Structure & Dynamics|February 2, 2021
Repurposing of FDA approved drugs and their validation against potential drug targets for Salmonella enterica through molecular dynamics simulationAkanksha Kesharwani, Dheeraj Kumar Chaurasia, Pramod KataraJournal of Biomolecular Structure & Dynamics|February 2, 2021
Molecular docking and molecular dynamic studies: screening of phytochemicals against EGFR, HER2, estrogen and NF-KB receptors for their potential use in breast cancerGurubasavaraj Swamy Purawarga Matada, Prasad Sanjay Dhiwar, Nahid Abbas, et al.Pageof 935