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Journal of Biomolecular Structure & Dynamics|May 22, 2023
Role of deleterious nsSNPs of klotho protein and their drug response: a computational mechanical insightsJohn Marshal Jayaraj, Karthikeyan MuthusamyJournal of Biomolecular Structure & Dynamics|May 22, 2023
Structure based drug design and fragment based approach to identify potential methotrexate analogues as dual inhibitors for management of psoriasisManish Ramchandani, Amit Kumar GoyalJournal of Biomolecular Structure & Dynamics|May 23, 2023
All-atoms molecular dynamics study to screen potent efflux pump inhibitors against KpnE protein of Klebsiella pneumoniaeSuchanda Dey, Madhusmita Rout, Sanghamitra Pati, et al.Journal of Biomolecular Structure & Dynamics|May 25, 2023
Visible-light promoted catalyst-free (VLCF) multi-component synthesis of spiro indolo-quinazolinone-pyrrolo[3,4-a]pyrrolizine hybrids: evaluation of in vitro anticancer activity, molecular docking, MD simulation and DFT studiesSafia Iqbal, Farhanaz, Roohi, et al.Journal of Biomolecular Structure & Dynamics|July 29, 2020
Molecular modeling and co-expression analysis of human stem cell factor as fusion partner to granulocyte colony stimulating factor for improving their bioactivityBijayalaxmi Sahoo, Sagarika Dash, Srimeenakshi Sankarnarayanan, et al.Journal of Biomolecular Structure & Dynamics|July 30, 2020
Molecular modeling studies of novel naphthyridine and isoquinoline derivatives as CDK8 inhibitorsQunlin Li, Kairui Feng, Jianxin Liu, et al.Journal of Biomolecular Structure & Dynamics|July 17, 2020
Experimental and computational interaction studies of terbium (III) and lanthanide (III) complexes containing 2,2'-bipyridine with bovine serum albumin and their in vitro anticancer and antimicrobial activitiesZahra Aramesh-Boroujeni, Nahal Aramesh, Shohreh Jahani, et al.Journal of Biomolecular Structure & Dynamics|July 17, 2020
Understanding dual delivery of doxorubicin and paclitaxel with boron nitride and phosphorene nanosheets as highly efficient drug delivery systemsHassan Hashemzadeh, Heidar RaissiJournal of Biomolecular Structure & Dynamics|July 22, 2020
Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2: an in silico analysisDevashan Naidoo, Ayan Roy, Pallab Kar, et al.Journal of Biomolecular Structure & Dynamics|July 22, 2020
Toxicity assessment of carmine and its interaction with calf thymus DNAAmin Arif, Ajaz Ahmad, Masood AhmadPageof 935