Parameterizing non-canonical amino acids for cyclic peptide simulations. [PDF]
Methods EnzymolWijesiri NK, Brown BP.
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Supervised learning of protein variant effects across large‐scale mutagenesis datasets
Protein Science, Volume 35, Issue 4, April 2026.Abstract The increasing availability of data from multiplexed assays of variant effects (MAVEs) enables supervised model training against large quantities of experimental data to learn sequence‐function relationships. Variant effect scores from MAVEs can, however, be influenced by the experimental method and library composition, resulting in experiment‐
Thea K. Schulze +3 more
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A hybrid evolutionary and structural method for AI-guided peptide inhibitor design using AlphaFold and Rosetta. [PDF]
Sci RepChaves Carvalho F +7 more
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StabLyzeGraph: High‐throughput screening of combinatorial mutations using graph neural networks
Protein Science, Volume 35, Issue 4, April 2026.Abstract Engineering protein stability is a powerful strategy across biotechnology and medicine, supporting a broad range of applications such as atomic structure determination, discovery of therapeutic molecules, biomanufacturing, diagnostic reagents, industrial biocatalysis, etc.
Muhammad Waqas +5 more
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Insights into the Performance of CusF as a Solubility Tag for Recombinant Protein Expression. [PDF]
Int J Mol SciOscorbin IP +3 more
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ProteinMCP: An agentic AI framework for autonomous protein engineering
Protein Science, Volume 35, Issue 4, April 2026.Abstract Computational protein design is often constrained by slow, complex, inaccessible, and highly sophisticated and expert‐dependent workflows that hinder its transferrability and generalization power for broader applications. We present ProteinMCP, an agentic AI framework designed to accelerate and democratize protein engineering.
Xiaopeng Xu +6 more
wiley +1 more source
Glycan masking in immunogen design: computational and experimental methods. [PDF]
Front ImmunolAraiza G +9 more
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Harnessing Autonomous AI Agents for the Next Generation of Scientific Discovery
SmartMat, Volume 7, Issue 2, April 2026.The complexity of interdisciplinary coordination often stifles materials innovation. This comment discusses a transformative autonomous AI Virtual Lab where agents collaborate and orchestrate computational tools via code generation. Adapted for materials science, this multi‐agent framework offers a blueprint for accelerating the discovery of complex ...
Qian Zhang, Zhiyao Su, Yajing Sun
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Journal of Geophysical Research: Planets, Volume 131, Issue 4, April 2026.Abstract Xenon (Xe) is a heavy noble gas with intriguing chemical properties, such as having several stable isotopes and the ability to form compounds under extreme conditions. Despite the predictions based on cosmochemical models that suggest xenon should be relatively abundant in planetary reservoirs, empirical data indicate a significant depletion ...
Avinash Kumar Both +2 more
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Optimized bacterial expression of a synthetic BRIL antibody
Acta Crystallographica Section F, Volume 82, Issue 4, Page 143-149, April 2026.Here, we document the generation of a T7 Express ΔcybC strain allowing contaminant‐free expression of the anti‐BRIL Fab BAG2. We also report the crystal structure of BAG2 in complex with native cytochrome b562, a complex arising from expression in canonical Escherichia coli strains.The use of monoclonal fragments antigen binding (Fabs) is a prevalent ...
Benjamin F. Cooper, Georgia L. Isom
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