J 2023

Machine Learning-Guided Protein Engineering

KOUBA, Petr; Pavel KOHOUT; Faraneh HADDADI; Anton BUSHUIEV; Raman SAMUSEVICH et al.

Základní údaje

Originální název

Machine Learning-Guided Protein Engineering

Autoři

KOUBA, Petr; Pavel KOHOUT; Faraneh HADDADI; Anton BUSHUIEV; Raman SAMUSEVICH; Jiri SEDLAR; Jiří DAMBORSKÝ; Tomáš PLUSKAL; Josef SIVIC a Stanislav MAZURENKO

Vydání

ACS Catalysis, Washington, D.C. American Chemical Society, 2023, 2155-5435

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Označené pro přenos do RIV

Ne

Organizace

Přírodovědecká fakulta – Masarykova univerzita – Repozitář

DOI

https://doi.org/10.1021/acscatal.3c02743

UT WoS

001098449000001

EID Scopus

2-s2.0-85177214801

Klíčová slova anglicky

activity; artificial intelligence; biocatalysis; deep learning; protein design

Návaznosti

EF17_043/0009632, projekt VaV. LM2023055, projekt VaV. LM2023069, projekt VaV. LX22NPO5102, projekt VaV. 857560, interní kód Repo.
Změněno: 6. 4. 2024 04:07, RNDr. Daniel Jakubík

Anotace

V originále

Recent progress in engineering highly promising biocatalysts has increasingly involved machine learning methods. These methods leverage existing experimental and simulation data to aid in the discovery and annotation of promising enzymes, as well as in suggesting beneficial mutations for improving known targets. The field of machine learning for protein engineering is gathering steam, driven by recent success stories and notable progress in other areas. It already encompasses ambitious tasks such as understanding and predicting protein structure and function, catalytic efficiency, enantioselectivity, protein dynamics, stability, solubility, aggregation, and more. Nonetheless, the field is still evolving, with many challenges to overcome and questions to address. In this Perspective, we provide an overview of ongoing trends in this domain, highlight recent case studies, and examine the current limitations of machine learning-based methods. We emphasize the crucial importance of thorough experimental validation of emerging models before their use for rational protein design. We present our opinions on the fundamental problems and outline the potential directions for future research.
Zobrazeno: 27. 4. 2026 16:24