In the hit identification stage of drug discovery, a diverse chemical space needs to be
explored to identify initial hits. Contrary to empirical scoring functions, absolute protein …

Leptospirosis is a potentially fatal zoonosis that is caused by spirochete Leptospira. The
signs and symptoms of leptospirosis are usually varied, allowing it to be mistaken for other …

In the hit identification stage of drug discovery, a diverse chemical space needs to be
explored to identify initial hits. Contrary to empirical scoring functions, absolute protein …

The increasing incidence reports of antibiotic resistance highlights the need for alternative
approaches to deal with bacterial infections. This brought about the idea of utilizing …

The salt-inducible kinases (SIKs) 1 to 3, belonging to the AMPK-related kinase family, serve
as master regulators orchestrating a diverse set of physiological processes such as …

In this study, we explored the structural dynamics of Mcl-1, an anti-apoptotic protein. On the
basis of structural ensembles, the essential dynamics was extracted and showed two major …

The apoptotic pathway is regulated by protein-protein interactions between members of the
Bcl-2 family. Pro-survival Bcl-2 family proteins act as cell guardians and protect cells against …

Background: The complementarity-determining region (CDR) of antibodies represents the
most diverse region both in terms of sequence and structural characteristics, playing the …

Palytoxin (PTX) is a potent neurotoxin found in marine animals that can cause serious
symptoms such as muscle contractions, haemolysis of red blood cells and potassium …

Systemic AL amyloidosis is a rare disease that originates from an abnormally proliferating
plasma cell producing an excess of a patient-specific light chain. These free light chains are …