International journal of molecular sciences
39595936
Thermophilic proteins maintain their stability and functionality under extreme high-temperature conditions, making them of significant importance in both fundamental biological research and biotechnological applications. In this study, we developed a...
Journal of chemical information and modeling
39576762
The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity between liga...
Recent years have witnessed the remarkable progress of deep learning within the realm of scientific disciplines, yielding a wealth of promising outcomes. A prominent challenge within this domain has been the task of predicting enzyme function, a comp...
Thermophilic proteins, mesophiles proteins and psychrophilic proteins have wide industrial applications, as enzymes with different optimal temperatures are often needed for different purposes. Convenient methods are needed to determine the optimal te...
MOTIVATION: Due to the breakthrough in protein structure prediction by AlphaFold, the scientific community has access to 200 million predicted protein structures with near-atomic accuracy from the AlphaFold protein structure DataBase (AFDB), covering...
Interdisciplinary sciences, computational life sciences
39661307
Peptide detectability measures the relationship between the protein composition and abundance in the sample and the peptides identified during the analytical procedure. This relationship has significant implications for the fundamental tasks of prote...
Adenosine triphosphate plays a vital role in providing energy and enabling key cellular processes through interactions with binding proteins. The increasing amount of protein sequence data necessitates computational methods for identifying binding si...
This survey paper provides a comprehensive analysis of various Deep Learning (DL) techniques and algorithms for detecting protein-protein interactions (PPIs). It examines the scalability, interpretability, accuracy, and efficiency of each technique, ...
MOTIVATION: Peptides and their derivatives hold potential as therapeutic agents. The rising interest in developing peptide drugs is evidenced by increasing approval rates by the FDA of USA. To identify the most potential peptides, study on peptide-pr...
Protein science : a publication of the Protein Society
39660955
Computational methods to predict binding affinity of protein-ligand complex have been used extensively to design inhibitors for proteins selected as drug targets. In recent years machine learning (ML) is being increasingly used for design of drugs/in...