Processive endoglucanases, which possess both endo- and exoglucanase activities, are considered highly promising catalysts in cellulose degradation. In this study, we employed multiple deep learning models, including MutCompute, DeepSequence, and ESM...
This research investigates the self-healing potential of Bacillus subtilis in concrete due to its high capacity for calcium carbonate precipitation. Mathematical modelling and machine learning methods, i.e., Random Forest Method (RFM) and Kuhn-Tucker...
Journal of chemical information and modeling
Mar 24, 2025
Bioactive peptides from food sources offer a safe and biocompatible approach to enzyme inhibition, with potential applications in managing metabolic disorders such as hyperuricemia and gout, conditions linked to excessive xanthine oxidase activity. U...
Frontiers in cellular and infection microbiology
Jan 6, 2025
BACKGROUND: The rise of antibiotic-resistant pathogens has intensified the search for novel antimicrobial agents. This study aimed to isolate from local soil samples and evaluate its antimicrobial properties, along with optimizing the production of ...
Given the extensive heterogeneity and variability, understanding cellular functions and regulatory mechanisms through the analysis of multi-omics datasets becomes extremely challenging. Here, a comprehensive modeling framework of multi-omics machine ...
Scarcity of structural and evolutionary information on protein complexes poses a challenge to deep learning-based structure modelling. We integrate experimental distance restraints obtained by crosslinking mass spectrometry (MS) into AlphaFold-Multim...
N-terminal coding sequence (NCS) influences gene expression by impacting the translation initiation rate. The NCS optimization problem is to find an NCS that maximizes gene expression. The problem is important in genetic engineering. However, current...
Naunyn-Schmiedeberg's archives of pharmacology
Jul 23, 2024
This research paper utilizes a fused-in-silico approach alongside bioactivity evaluation to identify active FtsZ inhibitors for drug discovery. Initially, ROC-guided machine learning was employed to obtain almost 13182 compounds from three libraries....
Chemical epigenetic cultivation of the sponge-derived fungus sp. SWMU-WZ04-1 contributed to the identification of twelve polyketide derivatives, including six new pestalotiopols E-J (-) and six known analogues (-). Their gross structures were deduce...
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