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Binding analysis

A novel assay to measure low-density lipoproteins binding to proteoglycans

Esmond N. Geh, Debi K. Swertfeger, [ ... ], Amy Sanghavi Shah

Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations

Mohammed Alrouji, Fahad A. Alhumaydhi, [ ... ], Anas Shamsi

Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

Rima D. Alharthy, Ghulam Fatima, [ ... ], Muhammad Muddassar

In silico studies of anti-oxidative and hot temperament-based phytochemicals as natural inhibitors of SARS-CoV-2 M^pro

Ramin Naderi Beni, Parisa Elyasi-Ebli, Sajjad Gharaghani, Arefeh Seyedarabi

Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation

Iqra Ali, Muhammad Nasir Iqbal, [ ... ], Abdul Rauf Siddiqi

Upregulation of human GD3 synthase (hST8Sia I) gene expression during serum starvation-induced osteoblastic differentiation of MG-63 cells

So-Young An, Hyun-Kyoung Yoon, [ ... ], Young-Choon Lee

Coarse-grained molecular dynamics-guided immunoinformatics to explain the binder and non-binder classification of Cytotoxic T-cell epitope for SARS-CoV-2 peptide-based vaccine discovery

Muhammad Yusuf, Wanda Destiarani, [ ... ], Toto Subroto

Discovery of neutralizing SARS-CoV-2 antibodies enriched in a unique antigen specific B cell cluster

Stine Sofie Frank Lende, Nanna Møller Barnkob, [ ... ], Martin Tolstrup

Characterization of Fibrodysplasia Ossificans Progessiva relevant Acvr1/Acvr2 Activin receptors in medaka (Oryzias latipes)

Michael Trumpp, Wen Hui Tan, [ ... ], Christoph Winkler

Vibegron shows high selectivity and potent agonist activity for β3-adrenoceptors, irrespective of receptor density

Shota Yamamoto, Hotaka Kusabuka, [ ... ], Takanobu Yamazaki

Inhibition of α-hemolysin activity of Staphylococcus aureus by theaflavin 3,3’-digallate

Anna Goc, Waldemar Sumera, Matthias Rath, Aleksandra Niedzwiecki

Is serotonin transporter brain binding associated with the cortisol awakening response? An independent non-replication

Juliane Conradi, Jonas E. Svensson, Søren V. Larsen, Vibe G. Frokjaer

Targeting Filamenting temperature-sensitive mutant Z (FtsZ) with bioactive phytoconstituents: An emerging strategy for antibacterial therapy

Bader Saud Alotaibi

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