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Journal of Biomolecular Structure & Dynamics|March 30, 2023
Computational and in vitro analyses to identify the anticoagulant regions of Echicetin, a snake venom anticoagulant C-type lectin (snaclec): possibility to develop anticoagulant peptide therapeutics?Upasana Puzari, Mahasweta Goswami, Komal Rani, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
The FGF/FGFR signalling mediated anti-cancer drug resistance and therapeutic interventionSubhasmita Mahapatra, Nisha Amarnath Jonniya, Suman Koirala, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
A combined in silico approaches of 2D-QSAR, molecular docking, molecular dynamics and ADMET prediction of anti-cancer inhibitor activity for actinonin derivativesAbdelmadjid Guendouzi, Lotfi Belkhiri, Abdelkrim Guendouzi, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
Hydroxamic acid derivatives as selective HDAC3 inhibitors: computer-aided drug design strategiesPreeti Patel, Sushant Kumar Shrivastava, Piyoosh Sharma, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
An in-silico approach to understand the potential role of Wnt inhibitory factor-1 (WIF-1) in the inhibition of the Wnt signalling pathwayPlaboni Sen, Suchandra Roy Acharyya, Arisha Arora, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
Improving the selective naked-eye detection of COVID-19 mediated by simultaneously using three different target oligonucleotides coated on plasmonic AuNPs/hexagonal Ag@AuNPsNeda Hosseinpour Moghadam, Rezvan Najafi, Ali Ghanbariasad, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IVMiah Roney, Abdul Rashid Issahaku, Md Shaekh Forid, et al.Journal of Biomolecular Structure & Dynamics|March 30, 2023
Electronic, mechanical, and thermal properties of zirconium dioxide nanotube interacting with poly lactic-co-glycolic acid and chitosan as potential agents in bone tissue engineering: insights from computational approachesAtiah H Almalki, Amany Belal, Ahmed A Farghali, et al.Journal of Biomolecular Structure & Dynamics|July 18, 2022
Molecular dynamics simulations of the SARS-CoV-2 Spike protein and variants of concern: structural evidence for convergent adaptive evolutionDaniel Ferreira de Lima Neto, Vagner Fonseca, Ronaldo Jesus, et al.Journal of Biomolecular Structure & Dynamics|July 21, 2022
Modeling and computational characterization of a Xanthomonas sp. Hypothetical protein identifies a remote ortholog of Burkholderia lethal factor 1Nur Afiqah Shalihin Muhamad Ismail, Su Hui Yap, Mohamad Ariff Mohamad Yussoff, et al.Pageof 932