Importance weighted expectation-maximization for protein sequence design

Z Song, L Li - International Conference on Machine Learning, 2023 - proceedings.mlr.press
Designing protein sequences with desired biological function is crucial in biology and
chemistry. Recent machine learning methods use a surrogate sequence-function model to …

Proximal exploration for model-guided protein sequence design

Z Ren, J Li, F Ding, Y Zhou, J Ma… - … on Machine Learning, 2022 - proceedings.mlr.press
Designing protein sequences with a particular biological function is a long-lasting challenge
for protein engineering. Recent advances in machine-learning-guided approaches focus on …

Accurate and efficient protein sequence design through learning concise local environment of residues

B Huang, T Fan, K Wang, H Zhang, C Yu, S Nie… - …, 2023 - academic.oup.com
Motivation Computational protein sequence design has been widely applied in rational
protein engineering and increasing the design accuracy and efficiency is highly desired …

[HTML][HTML] Protein sequence design with deep generative models

Z Wu, KE Johnston, FH Arnold, KK Yang - Current opinion in chemical …, 2021 - Elsevier
Protein engineering seeks to identify protein sequences with optimized properties. When
guided by machine learning, protein sequence generation methods can draw on prior …

[HTML][HTML] Adaptive machine learning for protein engineering

BL Hie, KK Yang - Current opinion in structural biology, 2022 - Elsevier
Abstract Machine-learning models that learn from data to predict how protein sequence
encodes function are emerging as a useful protein engineering tool. However, when using …

Multi-indicator comparative evaluation for deep learning-based protein sequence design methods

J Yu, J Mu, T Wei, HF Chen - Bioinformatics, 2024 - academic.oup.com
Motivation Proteins found in nature represent only a fraction of the vast space of possible
proteins. Protein design presents an opportunity to explore and expand this protein …

PDBench: evaluating computational methods for protein-sequence design

LV Castorina, R Petrenas, K Subr, CW Wood - Bioinformatics, 2023 - academic.oup.com
Ever increasing amounts of protein structure data, combined with advances in machine
learning, have led to the rapid proliferation of methods available for protein-sequence …

A hybrid model combining evolutionary probability and machine learning leverages data-driven protein engineering

AM Illig, NE Siedhoff, U Schwaneberg, MD Davari - bioRxiv, 2022 - biorxiv.org
Protein engineering through directed evolution and (semi-) rational approaches has been
applied successfully to optimize protein properties for broad applications in molecular …

Joint generation of protein sequence and structure with RoseTTAFold sequence space diffusion

SL Lisanza, JM Gershon, S Tipps, L Arnoldt, S Hendel… - bioRxiv, 2023 - biorxiv.org
Protein denoising diffusion probabilistic models (DDPMs) show great promise in the de novo
generation of protein backbones but are limited in their inability to guide generation of …

Generative models for protein sequence modeling: recent advances and future directions

M Mardikoraem, Z Wang, N Pascual… - Briefings in …, 2023 - academic.oup.com
The widespread adoption of high-throughput omics technologies has exponentially
increased the amount of protein sequence data involved in many salient disease pathways …