Protein–protein interactions (PPIs) are central to most biological processes. Although efforts
have been devoted to the development of methodology for predicting PPIs and protein …

Background An elevated serum C-reactive protein (CRP) level was observed in most patients
with coronavirus disease 2019 (COVID-19). Methods Data for COVID-19 patients with …

Hunting for chemicals with favorable pharmacological, toxicological, and pharmacokinetic
properties remains a formidable challenge for drug discovery. Deep learning provides us with …

TarFisDock is a web-based tool for automating the procedure of searching for small
molecule–protein interactions over a large repertoire of protein structures. It offers PDTD (potential …

Motivation Identifying compound–protein interaction (CPI) is a crucial task in drug discovery
and chemogenomics studies, and proteins without three-dimensional structure account for a …

Background Target identification is important for modern drug discovery. With the advances
in the development of molecular docking, potential binding proteins may be discovered by …

In recent decades, in silico absorption, distribution, metabolism, excretion (ADME), and toxicity
(T) modelling as a tool for rational drug design has received considerable attention from …

The amyloid β-peptides (Aβs), containing 39–43 residues, are the key protein components of
amyloid deposits in Alzheimer's disease. To structurally characterize the dynamic behavior …

The 3C-like proteinase (3CL pro ) of severe acute respiratory syndrome-associated coronavirus
(SARS-CoV) is one of the most promising targets for anti-SARS-CoV drugs due to its …

Collagen is the most abundant structural protein of connective tissues including skin, tendon,
bone and cartilage in mammals. The complicated biosynthesis of nature collagen in vivo, …