In silico tools, such as molecular docking, are widely applied to study interactions and
binding affinity of biological activity of proteins and peptides. However, restricted sampling of …

Discovery and development of biopeptides are time‐consuming, laborious, and dependent
on various factors. Data‐driven computational methods, especially machine learning (ML) …

The de novo design of antimicrobial therapeutics involves the exploration of a vast chemical
repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report …

Toxicity emerges as a prominent challenge in the design of therapeutic peptides, causing
the failure of numerous peptides during clinical trials. In 2013, our group developed …

Background Bioactive peptides obtained from different food sources have been proved to
exert several bioactivities, such as antioxidant, antihypertensive, antimicrobial, or anti …

Antimicrobial resistance has become a critical global health problem due to the abuse of
conventional antibiotics and the rise of multi-drug-resistant microbes. Antimicrobial peptides …

Background Molecular docking studies on protein-peptide interactions are a challenging
and time-consuming task because peptides are generally more flexible than proteins and …

Antibiotic resistance is a critical public health problem. Each year∼ 2.8 million resistant
infections lead to more than 35 000 deaths in the US alone. Antimicrobial peptides (AMPs) …

Over the past several decades a large amount of data have established that glial cells, the
main cell population in the brain, dynamically interact with neurons and thus impact their …

Introduction Due to overcome the hardness of the vaccine design, computational
vaccinology is emerging widely. Prediction of T cell and B cell epitopes, antigen processing …