Structure-based virtual screening approaches like molecular docking rely on accurately identifying and precisely calculating binding pockets to efficiently search for potential ligands. In this paper, we introduce GENEOnet, a machine learning model d...
The flood of protein structural Big Data is coming. With the belief that biotech researchers deserve powerful analysis engines to overcome the challenge of rapidly increasing computational demands, we are devoted to developing efficient protein struc...
The emergence of artificial intelligence in protein structure prediction has significantly advanced our understanding of protein folding. Yet, challenges remain in accurately modeling intrinsically disordered proteins (IDPs) and capturing conformatio...
High-dimensional nuclear magnetic resonance (NMR) spectroscopy can assist in determining protein structure, but it requires time-consuming acquisition. Deep learning enables ultrafast reconstruction but is limited to spectra of up to three dimensions...
Quantifying nanoscale protein secondary structure in aqueous solutions is crucial for understanding protein interactions and dynamics. Deep learning models are adept at predicting protein secondary structures, but their ability to model them in aqueo...
Molecular dynamics (MD) simulations have emerged as a powerful and extensively employed tool in biomedical research, offering insights into intricate biomolecular processes such as structural flexibility and molecular interactions, and playing a pivo...
Continuous biomarker monitoring is revolutionizing chronic disease management, with glucose monitoring for diabetes as the primary example. Given the success of this approach, a transition to continuous protein monitoring (CPM, a real-time, implantab...
Recent studies have established a reciprocal causal link between aging and the activation of transposable elements, characterized in particular by a de-repression of LINE-1 retrotransposons. These LINE-1 elements represent 21% of the human genome, bu...
Proceedings of the National Academy of Sciences of the United States of America
Sep 23, 2025
Convergent evolution, or convergence, refers to repeated, independent emergences of the same trait in two or more lineages of species during evolution, often indicating functional adaptation to specific environmental factors. Many computational metho...
Journal of chemical theory and computation
Sep 19, 2025
Phase separation of proteins and nucleic acids into biomolecular condensates contributes to the regulation of cellular compartmentalization in membrane-less environments. A key parameter controlling the onset of biomolecular condensate formation is t...
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