851 research outputs found
MUST-CNN: A Multilayer Shift-and-Stitch Deep Convolutional Architecture for Sequence-based Protein Structure Prediction
Predicting protein properties such as solvent accessibility and secondary
structure from its primary amino acid sequence is an important task in
bioinformatics. Recently, a few deep learning models have surpassed the
traditional window based multilayer perceptron. Taking inspiration from the
image classification domain we propose a deep convolutional neural network
architecture, MUST-CNN, to predict protein properties. This architecture uses a
novel multilayer shift-and-stitch (MUST) technique to generate fully dense
per-position predictions on protein sequences. Our model is significantly
simpler than the state-of-the-art, yet achieves better results. By combining
MUST and the efficient convolution operation, we can consider far more
parameters while retaining very fast prediction speeds. We beat the
state-of-the-art performance on two large protein property prediction datasets.Comment: 8 pages ; 3 figures ; deep learning based sequence-sequence
prediction. in AAAI 201
Protein Secondary Structure Prediction Using Cascaded Convolutional and Recurrent Neural Networks
Protein secondary structure prediction is an important problem in
bioinformatics. Inspired by the recent successes of deep neural networks, in
this paper, we propose an end-to-end deep network that predicts protein
secondary structures from integrated local and global contextual features. Our
deep architecture leverages convolutional neural networks with different kernel
sizes to extract multiscale local contextual features. In addition, considering
long-range dependencies existing in amino acid sequences, we set up a
bidirectional neural network consisting of gated recurrent unit to capture
global contextual features. Furthermore, multi-task learning is utilized to
predict secondary structure labels and amino-acid solvent accessibility
simultaneously. Our proposed deep network demonstrates its effectiveness by
achieving state-of-the-art performance, i.e., 69.7% Q8 accuracy on the public
benchmark CB513, 76.9% Q8 accuracy on CASP10 and 73.1% Q8 accuracy on CASP11.
Our model and results are publicly available.Comment: 8 pages, 3 figures, Accepted by International Joint Conferences on
Artificial Intelligence (IJCAI
Machine learning-guided directed evolution for protein engineering
Machine learning (ML)-guided directed evolution is a new paradigm for
biological design that enables optimization of complex functions. ML methods
use data to predict how sequence maps to function without requiring a detailed
model of the underlying physics or biological pathways. To demonstrate
ML-guided directed evolution, we introduce the steps required to build ML
sequence-function models and use them to guide engineering, making
recommendations at each stage. This review covers basic concepts relevant to
using ML for protein engineering as well as the current literature and
applications of this new engineering paradigm. ML methods accelerate directed
evolution by learning from information contained in all measured variants and
using that information to select sequences that are likely to be improved. We
then provide two case studies that demonstrate the ML-guided directed evolution
process. We also look to future opportunities where ML will enable discovery of
new protein functions and uncover the relationship between protein sequence and
function.Comment: Made significant revisions to focus on aspects most relevant to
applying machine learning to speed up directed evolutio
The promises of large language models for protein design and modeling.
The recent breakthroughs of Large Language Models (LLMs) in the context of natural language processing have opened the way to significant advances in protein research. Indeed, the relationships between human natural language and the language of proteins invite the application and adaptation of LLMs to protein modelling and design. Considering the impressive results of GPT-4 and other recently developed LLMs in processing, generating and translating human languages, we anticipate analogous results with the language of proteins. Indeed, protein language models have been already trained to accurately predict protein properties, generate novel functionally characterized proteins, achieving state-of-the-art results. In this paper we discuss the promises and the open challenges raised by this novel and exciting research area, and we propose our perspective on how LLMs will affect protein modeling and design
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