Highlights•Repurposing existing drugs for new diseases is cost effective and time saving.•In
silico methods are crucial for rapid drug screening in the early stages.•Machine learning …

The function of antibodies (Abs) involves specific binding to antigens (Ags) and activation of
other components of the immune system to fight pathogens. The six hypervariable loops …

Artificial Intelligence (AI) techniques have made great advances in assisting antibody
design. However, antibody design still heavily relies on isolating antigen-specific antibodies …

Conventional methods for humanizing animal-derived antibodies involve grafting their
complementarity-determining regions onto homologous human framework regions …

An electrochemical sensor based on molecularly imprinted polypyrrole nanotubes (MIPNs)
has been developed for the detection of glyphosate (Gly) with high sensitivity and specificity …

Antibodies are proteins that recognize the molecular surfaces of potentially noxious
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …

Structural antibody database (SAbDab; http://opig. stats. ox. ac. uk/webapps/sabdab) is an
online resource containing all the publicly available antibody structures annotated and …

The development of fast Fourier transform (FFT) algorithms enabled the sampling of billions
of complex conformations and thus revolutionized protein-protein docking. FFT-based …

Dabigatran etexilate is a direct thrombin inhibitor and used widely as an anticoagulant for
the prevention of stroke in patients with atrial fibrillation. However, anticoagulation therapy …

Antibody-antigen binding relies on the specific interaction of amino acids at the paratope-
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …