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Protein structure comparison

Unveiling the Plasmodium inositol (pyro)phosphate pathway: Highlighting inositol polyphosphate multikinase as a novel therapeutic target for malaria

Abigail Obuobi, Neils B. Quashie, Nancy Odurowah Duah-Quashie, Jon R. Sayers

Structural and immunological impacts of TOLLIP nsSNPs: A computational biology approach to drug discovery and immune system modulation

Obaid Habib, Saqib Ishaq, [ ... ], Qurban Ali

Revealing bioremediation potential of novel indigenous bacteria from oil-contaminated sites in the UAE: A combined bioinformatics and experimental validation

Sara Awni Alkhatib, Sagar Arya, [ ... ], Anna-Maria Pappa

Computational prediction of the pathogenic variants of arachidonate 5-lipoxygenase activating protein using Molecular Dynamics simulation

Mohamed E. Elnageeb, Imadeldin Elfaki, [ ... ], Elham M. Alhathli

Bioinformatics and modelling studies of FhuD, the periplasmic siderophore binding protein from the plant pathogen Erwinia amylovora

Sharda Bharti, Lavinia Carlini, Alfonso Esposito, Stefano Benini

Tracing the function expansion for a primordial protein fold in the era of fold-based function prediction: β-trefoil

Moushmi Goswami, Subhashini Srinivasan

Using computer-generated protein models to analyze mutations linked to Amelogenesis Imperfecta

Nazlee Sharmin, Jerald Yuan, Ava K. Chow

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

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

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

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

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

Chameleon sequences—Structural effects

Mateusz Slupina, Katarzyna Stapor, [ ... ], Irena Roterman

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