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Macromolecular structure analysis

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

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

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

RNA degradation patterns in cardiac tissues kept at different time intervals and temperatures before RNA sequencing

Stine Bøttcher Jacobsen, Jacob Tfelt-Hansen, [ ... ], Jeppe Dyrberg Andersen

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

Distinct modes of interaction within eIF4F-like complexes and susceptibility to the RocA inhibitor for the Trypanosoma brucei EIF4AI translation initiation factor

Danielle M. N. Moura, Amanda L. Soares, [ ... ], Osvaldo P. de Melo Neto

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