[HTML][HTML] Promiscuous acyltransferases for ester and amide synthesis in aqueous solution

B Baumert, H Meinert, C Cziegler, H Terholsen… - Catalysis Today, 2024 - Elsevier
Hydrolases are well-known for hydrolyzing esters, amides, carbamates, peptides, or acid
anhydrides in the presence of water. However, some of them are also capable of catalyzing …

Accurate prediction of enzyme thermostabilization with Rosetta using AlphaFold ensembles

F Peccati, S Alunno-Rufini… - Journal of chemical …, 2023 - ACS Publications
Thermostability enhancement is a fundamental aspect of protein engineering as a
biocatalyst's half-life is key for its industrial and biotechnological application, particularly at …

Immobilization and stabilization of an engineered acyltransferase for the continuous biosynthesis of simvastatin in packed-bed reactors

G García-Marquina, J Langer… - ACS Sustainable …, 2022 - ACS Publications
Simvastatin is a top-selling cholesterol-lowering drug traditionally obtained through a semi-
synthetic process starting from lovastatin. However, this process is cost-demanding and …

Expanding the substrate scope of acyltransferase LovD9 for the biosynthesis of statin analogues

G García‐Marquina, R Núñez‐Franco… - … A European Journal, 2023 - Wiley Online Library
This study identifies new acyl donors for manufacturing statin analogues through the
acylation of monacolin J acid by the laboratory evolved acyltransferase LovD9. Vinyl and p …

Thermodynamic Stabilization of Human Frataxin

R Nunez-Franco, A Torres-Mozas, CD Navo… - bioRxiv, 2023 - biorxiv.org
Recombinant proteins and antibodies are routinely used as drugs to treat prevalent
diseases such as diabetes or cancer, while enzyme replacement and gene therapies are the …

A learnable transition from low temperature to high temperature proteins with neural machine translation

E Komp, C Phillips, HN Alanzi, M Zorman, DAC Beck - bioRxiv, 2024 - biorxiv.org
This work presents Neural Optimization for Melting-temperature Enabled by Leveraging
Translation (NOMELT), a novel approach for designing and ranking high-temperature stable …

Learning from Protein Engineering by Deconvolution of Multi‐Mutational Variants

F Hollmann, J Sanchis Martinez… - Angewandte Chemie … - Wiley Online Library
This review analyzes a development in biochemistry, enzymology and biotechnology that
originally came as a surprise. As part of directed evolution of stereoselective enzymes in …

Exploring the Trinity of Protein Science: Structure, Stability, and Function Through the Lens of Machine Learning

H Alanzi - 2024 - search.proquest.com
Abstract Machine learning and deep learning are revolutionizing protein science by
enabling the prediction of complex, emergent biophysical properties. This thesis presents …

Nano-scale to Meso-scale: Practice and Pedagogy of Deep Learning Applied to Molecular Systems

E Komp - 2024 - digital.lib.washington.edu
Deep learning has found its way into the chemical sciences, and brought with it successes
that have been observed in “traditional” applications such as computer vision and sentiment …