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Journal of Biomolecular Structure & Dynamics|October 13, 2022
Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: in silico predictions, synthesis, docking and molecular dynamics simulation studiesMadhu Yadav, Ritika Srivastava, Farha Naaz, et al.Journal of Biomolecular Structure & Dynamics|October 21, 2022
Genetic complementation screening and molecular docking give new insight on phosphorylation-dependent Mastl kinase activationMehmet Erguven, Seval Kilic, Ezgi Karaca, et al.Journal of Biomolecular Structure & Dynamics|September 24, 2022
Designing new drug candidates as inhibitors against wild and mutant type neuraminidases: molecular docking, molecular dynamics and binding free energy calculationsMurat Kurt, Selami Ercan, Necmettin PirincciogluJournal of Biomolecular Structure & Dynamics|September 24, 2022
In silico screening of the phytochemicals present in Clitoria ternatea L. as the inhibitors of snake venom phospholipase A2 (PLA2)Suveena S, Saraswathy V, Junaida M I, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2021
Study of interaction of methylene blue with DNA and albuminPoghos O Vardevanyan, Ara P Antonyan, Marine A Parsadanyan, et al.Journal of Biomolecular Structure & Dynamics|January 28, 2021
Structural similarity-based prediction of host factors associated with SARS-CoV-2 infection and pathogenesisRitudhwaj Tiwari, Anurag R Mishra, Advika Gupta, et al.Journal of Biomolecular Structure & Dynamics|January 28, 2021
Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculationSindhiya Sridharan, Santhosh Kumar Nagarajan, Kathirvel Venugopal, et al.Journal of Biomolecular Structure & Dynamics|January 21, 2021
ADOPT: automatic deep learning and optimization-based approach for detection of novel coronavirus COVID-19 disease using X-ray imagesGaurav Dhiman, Victor Chang, Krishna Kant Singh, et al.Journal of Biomolecular Structure & Dynamics|January 21, 2021
In silico study indicates antimalarials as direct inhibitors of SARS-CoV-2-RNA dependent RNA polymerasePawan Kumar Doharey, Vishal Singh, Mallikarjuna Rao Gedda, et al.Journal of Biomolecular Structure & Dynamics|January 18, 2021
Withanolides from Withania somnifera as an immunity booster and their therapeutic options against COVID-19Pukar Khanal, Rupesh Chikhale, Yadu Nandan Dey, et al.Pageof 935