Machine learning methods for small data challenges in molecular science

B Dou, Z Zhu, E Merkurjev, L Ke, L Chen… - Chemical …, 2023 - ACS Publications
Small data are often used in scientific and engineering research due to the presence of
various constraints, such as time, cost, ethics, privacy, security, and technical limitations in …

Protein design: From the aspect of water solubility and stability

R Qing, S Hao, E Smorodina, D Jin, A Zalevsky… - Chemical …, 2022 - ACS Publications
Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Machine learning in enzyme engineering

S Mazurenko, Z Prokop, J Damborsky - ACS Catalysis, 2019 - ACS Publications
Enzyme engineering plays a central role in developing efficient biocatalysts for
biotechnology, biomedicine, and life sciences. Apart from classical rational design and …

Protein–Sol: a web tool for predicting protein solubility from sequence

M Hebditch, MA Carballo-Amador, S Charonis… - …, 2017 - academic.oup.com
Motivation Protein solubility is an important property in industrial and therapeutic
applications. Prediction is a challenge, despite a growing understanding of the relevant …

SoluProt: prediction of soluble protein expression in Escherichia coli

J Hon, M Marusiak, T Martinek, A Kunka… - …, 2021 - academic.oup.com
Motivation Poor protein solubility hinders the production of many therapeutic and industrially
useful proteins. Experimental efforts to increase solubility are plagued by low success rates …

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

B Ni, DL Kaplan, MJ Buehler - Science Advances, 2024 - science.org
Through evolution, nature has presented a set of remarkable protein materials, including
elastins, silks, keratins and collagens with superior mechanical performances that play …

Designing of a multi-epitope vaccine against the structural proteins of marburg virus exploiting the immunoinformatics approach

SA Sami, KKS Marma, S Mahmud, MAN Khan… - ACS …, 2021 - ACS Publications
Marburg virus disease (MVD) caused by the Marburg virus (MARV) generally appears with
flu-like symptoms and leads to severe hemorrhagic fever. It spreads via direct contact with …

[HTML][HTML] DnaK functions as a central hub in the E. coli chaperone network

G Calloni, T Chen, SM Schermann, H Chang… - Cell reports, 2012 - cell.com
Cellular chaperone networks prevent potentially toxic protein aggregation and ensure
proteome integrity. Here, we used Escherichia coli as a model to understand the …

Distinguishing crystal-like amyloid fibrils and glass-like amorphous aggregates from their kinetics of formation

Y Yoshimura, Y Lin, H Yagi, YH Lee… - Proceedings of the …, 2012 - National Acad Sciences
Amyloid fibrils and amorphous aggregates are two types of aberrant aggregates associated
with protein misfolding diseases. Although they differ in morphology, the two forms are often …

[HTML][HTML] Widespread aggregation and neurodegenerative diseases are associated with supersaturated proteins

P Ciryam, GG Tartaglia, RI Morimoto, CM Dobson… - Cell reports, 2013 - cell.com
The maintenance of protein solubility is a fundamental aspect of cellular homeostasis
because protein aggregation is associated with a wide variety of human diseases …