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Journal of Biomolecular Structure & Dynamics|August 30, 2023
Insilico molecular modelling to identify PDK-1 targeting agents based on its protein-protein docking interactionKailasam N Vennila, Kuppanagounder P ElangoJournal of Biomolecular Structure & Dynamics|August 17, 2023
Morroniside interaction with poly (ADP-ribose) polymerase accentuates metabolic mitigation of alloxan-induced genotoxicity and hyperglycaemia: a molecular docking based in vitro and in vivo experimental therapeutic insightSudatta Dey, Isha Nagpal, Priyanka Sow, et al.Journal of Biomolecular Structure & Dynamics|August 23, 2023
Identification of potential Escherichia coli DNA gyrase B inhibitors targeting antibacterial therapy: an integrated docking and molecular dynamics simulation studyBader S Alotaibi, Mohammed Ageeli Hakami, Talha Jawaid, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2023
Synthesis, design, in silico, in vitro and in vivo (streptozotocin-induced diabetes in mice) biological evaluation of novels N-arylacetamide derivativesSalma Mortada, Walid Guerrab, Mohcine Missioui, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2023
Designing of neoepitopes based vaccine against breast cancer using integrated immuno and bioinformatics approachMohd Shuaib, Atul Kumar Singh, Sanjay Gupta, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2023
Pharmacoinformatics-based identification of phytochemicals from Solanum torvum Swartz. fruits as potential inhibitors for MAPK14 proteinPriya Petchimuthu, Chandu Ala, Selvaraj Kunjiappan, et al.Journal of Biomolecular Structure & Dynamics|August 16, 2023
In silico identification of α-bisabolol and letestuianin C as potential inhibitors of Trypanosoma brucei trypanothione reductasePrisca Baah Nketia, Edward Ntim Gasu, Jehoshaphat Oppong Mensah, et al.Journal of Biomolecular Structure & Dynamics|August 10, 2023
Multi-spectroscopic, thermodynamic and molecular simulation studies on binding of pyrroloquinoline quinone with DNA: coexistence of intercalation and groove binding modesR Durga Priyadharshini, Jayashree Ravi, Preethi Ragunathan, et al.Journal of Biomolecular Structure & Dynamics|August 10, 2023
An integrative computational approach for the identification of dual inhibitors of isocitrate dehydrogenase 1 and 2 from phytocompounds of Phyllantus amarusRidwan Opeyemi Bello, Salihaat Toyin Okunlola, Neeraj Kumar, et al.Journal of Biomolecular Structure & Dynamics|August 10, 2023
Evaluating chemotherapeutic potential of soya-isoflavonoids against high penetrance genes in triple-negative breast cancerPrarthana Chatterjee, Satarupa BanerjeePageof 935