The power and pitfalls of AlphaFold2 for structure prediction beyond rigid globular proteins
Artificial intelligence-driven advances in protein structure prediction in recent years have
raised the question: has the protein structure-prediction problem been solved? Here, with a …
raised the question: has the protein structure-prediction problem been solved? Here, with a …
Application of artificial intelligence in drug design: A review
Artificial intelligence (AI) is a field of computer science that involves acquiring information,
develo** rule bases, and mimicking human behaviour. The fundamental concept behind …
develo** rule bases, and mimicking human behaviour. The fundamental concept behind …
The impact of AI‐based modeling on the accuracy of protein assembly prediction: Insights from CASP15
In CASP15, 87 predictors submitted around 11 000 models on 41 assembly targets. The
community demonstrated exceptional performance in overall fold and interface contact …
community demonstrated exceptional performance in overall fold and interface contact …
[HTML][HTML] AI-driven deep learning techniques in protein structure prediction
Protein structure prediction is important for understanding their function and behavior. This
review study presents a comprehensive review of the computational models used in …
review study presents a comprehensive review of the computational models used in …
NMR investigations of glycan conformation, dynamics, and interactions
Glycans are ubiquitous in nature, decorating our cells and serving as the initial points of
contact with any visiting entities. These glycan interactions are fundamental to host …
contact with any visiting entities. These glycan interactions are fundamental to host …
NMR-Chemical-Shift-Driven Protocol Reveals the Cofactor-Bound, Complete Structure of Dynamic Intermediates of the Catalytic Cycle of Oncogenic KRAS G12C …
In this work, catalytically significant states of the oncogenic G12C variant of KRAS, those of
Mg2+-free and Mg2+-bound GDP-loaded forms, have been determined using CS-Rosetta …
Mg2+-free and Mg2+-bound GDP-loaded forms, have been determined using CS-Rosetta …
Analysis of the Structural Dynamics of Proteins in the Ligand-Unbound and-Bound States by Diffracted X-ray Tracking
M Oda - International Journal of Molecular Sciences, 2023 - mdpi.com
Although many protein structures have been determined at atomic resolution, the majority of
them are static and represent only the most stable or averaged structures in solution. When …
them are static and represent only the most stable or averaged structures in solution. When …
Computational biology and artificial intelligence in mRNA vaccine design for cancer immunotherapy
Messenger RNA (mRNA) vaccines offer an adaptable and scalable platform for cancer
immunotherapy, requiring optimal design to elicit a robust and targeted immune response …
immunotherapy, requiring optimal design to elicit a robust and targeted immune response …
Progress, Challenges and Opportunities of NMR and XL-MS for Cellular Structural Biology
Z Zhang, Q Zhao, Z Gong, R Du, M Liu, Y Zhang… - JACS Au, 2024 - ACS Publications
The validity of protein structures and interactions, whether determined under ideal laboratory
conditions or predicted by AI tools such as Alphafold2, to precisely reflect those found in …
conditions or predicted by AI tools such as Alphafold2, to precisely reflect those found in …
Deciphering olfactory receptor binding mechanisms: a structural and dynamic perspective on olfactory receptors
J Wang, Q Zhang, W Fan, Q Shi, J Mao, J **e… - Frontiers in Molecular …, 2025 - frontiersin.org
Olfactory receptors, classified as G-protein coupled receptors (GPCRs), have been a subject
of scientific inquiry since the early 1950s. Historically, investigations into the sensory …
of scientific inquiry since the early 1950s. Historically, investigations into the sensory …