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Journal of Biomolecular Structure & Dynamics|March 2, 2021
Ligand and structure-based computational designing of multi-target molecules directing FFAR-1, FFAR-4 and PPAR-G as modulators of insulin receptor activityShweta Mishra, Mithun Singh Rajput, Devashish Rathore, et al.Journal of Biomolecular Structure & Dynamics|March 12, 2021
Potential inhibitors of angiotensin converting enzyme 2 receptor of COVID-19 by Corchorus olitorius Linn using docking, molecular dynamics, conceptual DFT investigation and pharmacophore mappingFouzia Mesli, Meriem Ghalem, Ismail Daoud, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2018
Comparative study of the binding mode between cytochrome P450 17A1 and prostate cancer drugs in the absence of haem ironDalong Song, Jihua Zhang, Yuanlin Wang, et al.Journal of Biomolecular Structure & Dynamics|June 7, 2008
Effects of CMAP and electrostatic cutoffs on the dynamics of an integral membrane protein: the phospholamban studyY Houndonougbo, K Kuczera, G S JasJournal of Biomolecular Structure & Dynamics|June 7, 2008
What is the effective component in suanzaoren decoction for curing insomnia? Discovery by virtual screening and molecular dynamic simulationC Y-C Chen, Y-F Chen, H-Y TsaiJournal of Biomolecular Structure & Dynamics|June 7, 2008
RING domains functioning as E3 ligases reveal distinct structural features: a molecular dynamics simulation studyJ-H Zhao, C-T Yang, J W Wu, et al.Journal of Biomolecular Structure & Dynamics|June 7, 2008
Intercalation of daunomycin into stacked DNA base pairs. DFT study of an anticancer drugG Barone, C F Guerra, N Gambino, et al.Journal of Biomolecular Structure & Dynamics|June 7, 2008
Refinement of a low-resolution crystal structure to better understand erythromycin interactions on large ribosomal subunitH A Wahab, W K Yam, M-R Samian, et al.Journal of Biomolecular Structure & Dynamics|February 25, 2014
Structural insight into HIV-1 reverse transcription initiation in MAL-like templates (CRF01_AE, subtype G and CRF02_AG)Irina N Kolomiets, Margarita I Zarudnaya, Andriy L Potyahaylo, et al.Journal of Biomolecular Structure & Dynamics|February 25, 2014
Study of orotidine 5'-monophosphate decarboxylase in complex with the top three OMP, BMP, and PMP ligands by molecular dynamics simulationShirin Jamshidi, Seifollah Jalili, Hashem Rafii-TabarPageof 931