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Protein structure

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

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

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

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

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

Evolution and classification of Ser/Thr phosphatase PP2C family in bacteria: Sequence conservation, structures, domain distribution

Hang Li, Rui Li, [ ... ], Hong Feng

Allosteric modulation of Plasmodium falciparum Isoleucyl tRNA synthetase by South African natural compounds

Curtis Chepsiror, Wayde Veldman, Fisayo Olotu, Özlem Tastan Bishop

iProtDNA-SMOTE: Enhancing protein-DNA binding sites prediction through imbalanced graph neural networks

Ruiyan Huang, Wangren Qiu, Xuan Xiao, Weizhong Lin

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development

Muhammad Naseem Khan, Umar Farooq, [ ... ], Sara Khan

Two different and robustly modeled DNA binding modes of Competence Protein ComP - systematic modeling with AlphaFold 3, RoseTTAFold2NA, Chai-1 and re-docking in HADDOCK

Stian Aleksander Helsem, Kristian Alfsnes, [ ... ], Ole Herman Ambur

Protective function of the voltage-gated potassium channel Kv11.3 in a mouse model of cardiac ischemia/reperfusion injury

Hayato Sasaki, Kazuki Otake, [ ... ], Nobuya Sasaki

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