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Journal of Biomolecular Structure & Dynamics|January 18, 2024
Binding mechanism, photo-induced cleavage and computational studies of interaction cefepime drug with Human serum albuminWaddhaah M Al-Asbahy, Manal Shamsi, Ahmed Senan, et al.Journal of Biomolecular Structure & Dynamics|January 18, 2024
NetVA: an R package for network vulnerability and influence analysisSwapnil Kumar, Grace Pauline, Vaibhav VindalJournal of Biomolecular Structure & Dynamics|January 10, 2024
A computational strategy for systematic virtual screening of plasmodium falciparum heme detoxification protein inhibitors from the Drugbank databaseShrikant Nema, Rini Chaturvedi, Kanika Verma, et al.Journal of Biomolecular Structure & Dynamics|January 9, 2024
A computational study on structural and functional consequences of nsSNPs in human dopa decarboxylaseS Birendra Kumar, Aishwarya Girish, Samruddhi Sutar, et al.Journal of Biomolecular Structure & Dynamics|January 9, 2024
Computational evaluation of 1,2,3-triazole-based VEGFR-2 inhibitors: anti-angiogenesis potential and pharmacokinetic assessmentMhamed Elbouhi, Mohamed Ouabane, Kamal Tabti, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2024
Evaluating binding and interaction of selected pesticides with serum albumin proteins by Raman, 1H NMR, mass spectrometry and molecular dynamics simulationJosefa Wulf, Noam Lewit, Shaila Akter, et al.Journal of Biomolecular Structure & Dynamics|January 8, 2024
Investigating the combined effect of copper, zinc, and iron ions on truncated and full-length Aβ peptides: insights from molecular dynamics simulationMona Sohrabi, Mohammad Reza Bozorgmehr, Mohammad Momen-HeraviJournal of Biomolecular Structure & Dynamics|January 8, 2024
Identification of approved drugs with ALDH1A1 inhibitory potential aimed at enhancing chemotherapy sensitivity in cancer cells: an in-silico drug repurposing approachSanjay Kumar Paul, Abdelmadjid Guendouzi, Agniswar Banerjee, et al.Journal of Biomolecular Structure & Dynamics|January 8, 2024
Bitter taste receptors establish a stable binding affinity with the SARS-CoV-2-spike 1 protein akin to ACE2Senthil Arun Kumar, C Selvaa Kumar, Norine DsouzaJournal of Biomolecular Structure & Dynamics|January 4, 2024
Integration analysis of PLAUR as a sunitinib resistance and macrophage related biomarker in ccRCC, an in silicon and experimental studyQiwei Yang, Fangdie Ye, Lin Li, et al.Pageof 931