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Journal of Biomolecular Structure & Dynamics|January 18, 2021
Dimeric phosphorylation of glyoxalase I alters its symmetry and substrate binding mechanism: simulation studiesLisa Michelle Barber, Zakir Hussain, Merlin Thomas, et al.
Journal of Biomolecular Structure & Dynamics|November 12, 2021
Identification and structural studies of natural inhibitors against SARS-CoV-2 viral RNA methyltransferase (NSP16)Mukesh Kumar, Anik Roy, Ravindra Singh Rawat, et al.
Journal of Biomolecular Structure & Dynamics|March 22, 2021
Molecular interaction study of novel indoline derivatives with EGFR-kinase domain using multiple computational analysisSuresh Palanivel, Olli Yli-Harja, Meenakshisundaram Kandhavelu
Journal of Biomolecular Structure & Dynamics|March 22, 2021
Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico explorationRahul Singh, Vijay Kumar Bhardwaj, Jatin Sharma, et al.
Journal of Biomolecular Structure & Dynamics|March 22, 2021
Repurposing of anticancer phytochemicals for identifying potential fusion inhibitor for SARS-CoV-2 using molecular docking and molecular dynamics (MD) simulationsChirag N Patel, Dweipayan Goswami, Prasanth Kumar Sivakumar, et al.
Journal of Biomolecular Structure & Dynamics|November 9, 2021
Relaxed complex scheme and molecular dynamics simulation suggests small molecule inhibitor of human TMPRSS2 for combating COVID-19Said A H Vuai, Marcelina M Ogedjo, Onoka Isaac, et al.
Journal of Biomolecular Structure & Dynamics|March 15, 2021
In silico drug designing for COVID-19: an approach of high-throughput virtual screening, molecular, and essential dynamics simulationsRakesh Kumar, Rahul Kumar, Pranay Tanwar
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