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Journal of Biomolecular Structure & Dynamics|August 19, 2022
Identification of new small molecule monoamine oxidase-B inhibitors through pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation studiesSandeep Kumar, Senthil Raja AyyannanJournal of Biomolecular Structure & Dynamics|August 19, 2022
Rational design of 1,2,3-triazole hybrid structures as novel anticancer agents: synthesis, biological evaluation and molecular docking studiesAynur Çot, Mustafa Çeşme, Sultan Onur, et al.Journal of Biomolecular Structure & Dynamics|August 31, 2021
Insights into the mutations leading to capreomycin resistance in S-adenosyl-L-methionine binding motif in TlyA from Mycobacterium tuberculosisWaseem Ali, Salma Jamal, Abhinav Grover, et al.Journal of Biomolecular Structure & Dynamics|August 31, 2021
Impact of F80M and F83M mutations on the functionality of fluoride ion channel elucidated in microsecond level molecular dynamic simulationPulala Raghuveer Yadav, Syed Hussain BashaJournal of Biomolecular Structure & Dynamics|August 31, 2021
Structural, spectroscopic, in silico, in vitro and DNA binding evaluations of tyrosyl-lysyl-threonineBilge Bicak, Serda Kecel Gunduz, Yasemin Budama Kilinc, et al.Journal of Biomolecular Structure & Dynamics|September 17, 2021
Arjunetin as a promising drug candidate against SARS-CoV-2: molecular dynamics simulation studiesGandarvakottai Senthilkumar Arumugam, Asmita Sen, Swati S Dash, et al.Journal of Biomolecular Structure & Dynamics|September 17, 2021
Interactions study of 1,2,4-triazole derivatives in acid medium using molecular dynamicsRadia MahboubJournal of Biomolecular Structure & Dynamics|August 30, 2021
Discovering potential inhibitors against SARS-CoV-2 by targeting Nsp13 HelicaseRajat Nandi, Deep Bhowmik, Rakesh Srivastava, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2021
The antioxidant and antidiabetic potentials of polyphenolic-rich extracts of Cyperus rotundus (Linn.)Almahi I Mohamed, Brian K Beseni, Nontokozo Z Msomi, et al.Journal of Biomolecular Structure & Dynamics|August 5, 2022
Insights into the microevolution of SARS-ACE2 interactions: in silico analysis of glycosylation and SNP patternPavan K Madasu, Arpita Maity, Surya K Ghosh, et al.Pageof 935