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 …
Clustering predicted structures at the scale of the known protein universe
Proteins are key to all cellular processes and their structure is important in understanding
their function and evolution. Sequence-based predictions of protein structures have …
their function and evolution. Sequence-based predictions of protein structures have …
Random, de novo, and conserved proteins: how structure and disorder predictors perform differently
L Middendorf, LA Eicholt - Proteins: Structure, Function, and …, 2024 - Wiley Online Library
Understanding the emergence and structural characteristics of de novo and random proteins
is crucial for unraveling protein evolution and designing novel enzymes. However …
is crucial for unraveling protein evolution and designing novel enzymes. However …
[HTML][HTML] Deep learning-based structure modelling illuminates structure and function in uncharted regions of β-solenoid fold space
Repeat proteins are common in all domains of life and exhibit a wide range of functions. One
class of repeat protein contains solenoid folds where the repeating unit consists of β-strands …
class of repeat protein contains solenoid folds where the repeating unit consists of β-strands …
Challenges in bridging the gap between protein structure prediction and functional interpretation
M Varadi, M Tsenkov, S Velankar - Proteins: Structure, Function …, 2025 - Wiley Online Library
The rapid evolution of protein structure prediction tools has significantly broadened access
to protein structural data. Although predicted structure models have the potential to …
to protein structural data. Although predicted structure models have the potential to …
Dual‐wield NTPases: A novel protein family mined from AlphaFold DB
AlphaFold protein structure database (AlphaFold DB) archives a vast number of predicted
models. We conducted systematic data mining against AlphaFold DB and discovered an …
models. We conducted systematic data mining against AlphaFold DB and discovered an …
Deep Learning-based structural and functional annotation of Pandoravirus hypothetical proteins
JL Horder, AJ Connor, AL Duggan, JJ Hale… - bioRxiv, 2023 - biorxiv.org
Giant viruses, including Pandoraviruses, contain large amounts of genomic 'dark matter'-
genes encoding proteins of unknown function. New generation, deep learning-based …
genes encoding proteins of unknown function. New generation, deep learning-based …
EmbedSimScore: Advancing Protein Similarity Analysis with Structural and Contextual Embeddings
Accurately computing protein similarity is challenging due to the intricate interplay between
local substructures and the global structure within protein molecules. Traditional metrics like …
local substructures and the global structure within protein molecules. Traditional metrics like …