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Opportunities and challenges for machine learning-assisted enzyme engineering
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
MoCHI: neural networks to fit interpretable models and quantify energies, energetic couplings, epistasis, and allostery from deep mutational scanning data
We present MoCHI, a tool to fit interpretable models using deep mutational scanning data.
MoCHI infers free energy changes, as well as interaction terms (energetic couplings) for …
MoCHI infers free energy changes, as well as interaction terms (energetic couplings) for …
Epistasis facilitates functional evolution in an ancient transcription factor
A protein's genetic architecture–the set of causal rules by which its sequence produces its
functions–also determines its possible evolutionary trajectories. Prior research has …
functions–also determines its possible evolutionary trajectories. Prior research has …
Site-saturation mutagenesis of 500 human protein domains
Missense variants that change the amino acid sequences of proteins cause one-third of
human genetic diseases. Tens of millions of missense variants exist in the current human …
human genetic diseases. Tens of millions of missense variants exist in the current human …
Protein codes promote selective subcellular compartmentalization
Cells have evolved mechanisms to distribute~ 10 billion protein molecules to subcellular
compartments where diverse proteins involved in shared functions must assemble. Here, we …
compartments where diverse proteins involved in shared functions must assemble. Here, we …
Identification and Understanding of Allostery Hotspots in Proteins: Integration of Deep Mutational Scanning and Multi-faceted Computational Analyses
Q Cui - Journal of Molecular Biology, 2025 - Elsevier
Motivated by recent deep mutational scanning (DMS) experiments, we have carried out a
diverse set of computations to better understand the distribution and contributions of …
diverse set of computations to better understand the distribution and contributions of …
Site saturation mutagenesis of 500 human protein domains reveals the contribution of protein destabilization to genetic disease
Missense variants that change the amino acid sequences of proteins cause one third of
human genetic diseases. Tens of millions of missense variants exist in the current human …
human genetic diseases. Tens of millions of missense variants exist in the current human …
For antibody sequence generative modeling, mixture models may be all you need
J Parkinson, W Wang - Bioinformatics, 2024 - academic.oup.com
Motivation Antibody therapeutic candidates must exhibit not only tight binding to their target
but also good developability properties, especially low risk of immunogenicity. Results In this …
but also good developability properties, especially low risk of immunogenicity. Results In this …
GMMA can stabilize proteins across different functional constraints
Stabilizing proteins without otherwise hampering their function is a central task in protein
engineering and design. PYR1 is a plant hormone receptor that has been engineered to …
engineering and design. PYR1 is a plant hormone receptor that has been engineered to …
Chemical codes promote selective compartmentalization of proteins
Cells have evolved mechanisms to distribute∼ 10 billion protein molecules to subcellular
compartments where diverse proteins involved in shared functions must efficiently …
compartments where diverse proteins involved in shared functions must efficiently …