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Protein structure prediction

Coarse-grained molecular dynamics investigation on the interaction between κ- and β-casein aggregates and curcumin

Jian Gao, Rong Dong, [ ... ], Ye-Wang Zhang

Exploration of effective pharmacological inhibitors for NS5 protein through computational approach: A strategy to combat the neglected Kyasanur forest disease virus

Sharanappa Achappa, Nayef Abdulaziz Aldabaan, [ ... ], Basheerahmed Abdulaziz Mannasaheb

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

Moushmi Goswami, Subhashini Srinivasan

Structural impact of synonymous mutations in six SARS-CoV-2 Variants of Concern

Alison Ziesel, Hosna Jabbari

Network pharmacognosy of Galphimia glauca: Mapping the molecular landscape of a traditional Mexican medicinal plant

María José Cambero Acosta, Guillermo de Anda-Jáuregui

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

Nazlee Sharmin, Jerald Yuan, Ava K. Chow

Exploring varicella zoster virus proteome for construction and validation of a multi-epitope based subunit vaccine using multifaceted immunoinformatics approaches

Yassir A. Almofti, Amna A. Ibrahim, [ ... ], Yuan-Seng Wu

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

Benchmarking inverse folding models for antibody CDR sequence design

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

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

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

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

Ruiyan Huang, Wangren Qiu, Xuan Xiao, Weizhong Lin

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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