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Binding analysis

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

Rapid and sensitive detection of gram-negative bacteria using surface-immobilized polymyxin B

Hyun-Jin Kang, Sang-Hoon Lee, [ ... ], Hee-Deung Park

Application of In vitro transcytosis models to brain targeted biologics

Kangwen Deng, Yifeng Lu, [ ... ], Andrew Goodearl

How ligands regulate the binding of PARP1 with DNA: Deciphering the mechanism at the molecular level

Kai Wang, Yizhou Wu, [ ... ], Shuya Sun

Single molecule studies characterize the kinetic mechanism of tetrameric p53 binding to different native response elements

Johannes P. Suwita, Calvin K. Voong, [ ... ], Jennifer F. Kugel

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