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Macromolecular structure analysis

In silico analysis of quorum sensing modulators: Insights into molecular docking and dynamics and potential therapeutic applications

Ali Alisaac

Fixed-axis spacelike ruled surfaces and their evolute offsets

Areej A. Almoneef, Rashad A. Abdel-Baky

KIFC1 inhibition: Exploring the potential of propolis-derived small molecules for targeting cancer progression through in silico analysis

Muhammad Bilal Azmi, Simran Kumari, [ ... ], Shamim Akhtar Qureshi

The third intracellular loop of Drosophila Lilipod is required for protein function in vivo and can mediate protein-protein interactions in vitro

Merin Vellooparambil Roy, Scott J. Neal, Francesca Pignoni

Polypyrimidine tract binding proteins PTBP1 and PTBP2 associate with distinct proteins and have distinct post-translational modifications in neuronal nuclear extract

Michael E. Sullivan, Jacob A. Edberg, [ ... ], Niroshika M. Keppetipola

Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)

Ubair Aziz, Ishrat Jabeen

Benchmarking inverse folding models for antibody CDR sequence design

Yifan Li, Yuxiang Lang, [ ... ], Per Jr. Greisen

Discovery of novel targets for important human and plant fungal pathogens via an automated computational pipeline HitList

David E. Condon, Brenda K. Schroeder, Paul A. Rowley, F. Marty Ytreberg

Hydroethanolic extract of Schinus terebinthifolia as a promising source of anti-influenza agents: Phytochemical profiling, cheminformatics, molecular docking and dynamics simulations

Napapuch Nopkuesuk, Anuwatchakij Klamrak, [ ... ], Sakda Daduang

Conserved domains and structural motifs that differentiate closely related Rex1 and Rex3 DEDDh exoribonucleases are required for their function in yeast

Peter W. Daniels, Sophie Kelly, Iwan J. Tebbs, Phil Mitchell

Measuring alignment of structural proteins in engineered tissue constructs using polarized Raman spectroscopy

Maedeh Lotfi, Hui Zhou, [ ... ], Malisa Sarntinoranont

Impact of obesity on follicular fluid lipid composition and IVF/ICSI outcomes in Korean women: A lipidomic study

Yoo Ra Ko, Min Kyoung Kim, [ ... ], Woo Sik Lee

Assessing the generalization capabilities of TCR binding predictors via peptide distance analysis

Leonardo V. Castorina, Filippo Grazioli, [ ... ], Federico Errica

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