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Journal of Biomolecular Structure & Dynamics|July 8, 2014
Kinetic characterization of Ca²⁺-ATPase (SERCA1) inhibition by tri-n-butyltin(IV) chloride. A docking conformation proposalScheherezade García-Carrillo, Francisco J Aranda, Antonio Ortiz, et al.Journal of Biomolecular Structure & Dynamics|June 30, 2016
Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insightsKarthikeyan Muthusamy, Sathishkumar Chinnasamy, Subbiah Nagarajan, et al.Journal of Biomolecular Structure & Dynamics|May 5, 2016
Comparative docking of dual conformations in human fatty acid synthase thioesterase domain reveals potential binding cavity for virtual screening of ligandsArun John, Umashankar Vetrivel, Krishnakumar Subramanian, et al.Journal of Biomolecular Structure & Dynamics|June 18, 2016
Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studiesRamin Ekhteiari Salmas, Ayhan Unlu, Muhammet Bektaş, et al.Journal of Biomolecular Structure & Dynamics|September 2, 2020
Isolation and characterization of an iridoid, Arbortristoside-C from Nyctanthes arbor-tristis Linn., a potential drug candidate for diabetes targeting α-glucosidaseS Vajravijayan, N Nandhagopal, D Anantha Krishnan, et al.Journal of Biomolecular Structure & Dynamics|September 3, 2020
In vitro cytotoxicity studies of smart pH-sensitive lamivudine-loaded CaAl-LDH magnetic nanoparticles against Mel-Rm and A-549 cancer cellsNahid Shahabadi, Mahtab Razlansari, Hossein ZhalehJournal of Biomolecular Structure & Dynamics|September 3, 2020
Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analysesZouhair Elkarhat, Hicham Charoute, Lamiae Elkhattabi, et al.Journal of Biomolecular Structure & Dynamics|September 3, 2020
Proposing a fungal metabolite-flaviolin as a potential inhibitor of 3CLpro of novel coronavirus SARS-CoV-2 identified using docking and molecular dynamicsPriyashi Rao, Arpit Shukla, Paritosh Parmar, et al.Journal of Biomolecular Structure & Dynamics|September 3, 2020
Pharmacoinformatics and hypothetical studies on allicin, curcumin, and gingerol as potential candidates against COVID-19-associated proteasesBabatunde Joseph Oso, Akinwunmi Oluwaseun Adeoye, Ige Francis OlaoyeJournal of Biomolecular Structure & Dynamics|September 5, 2020
Epigenetic-based cancer therapeutics: new potential HDAC8 inhibitorsMalihe Hassanzadeh, Shabnam Mahernia, Gianluca Caprini, et al.Pageof 931