Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …

Sequence-based prediction of drug–target interactions has the potential to accelerate drug
discovery by complementing experimental screens. Such computational prediction needs to …

We combine advances in neural language modeling and structurally motivated design to
develop D-SCRIPT, an interpretable and generalizable deep-learning model, which predicts …

The phosphatidylinositol 3-kinase (PI3K)/AKT/mammalian target of the rapamycin (mTOR)
signalling pathway is hyperactivated or altered in many cancer types and regulates a broad …

A key challenge of modern biology is to uncover the functional role of the protein entities that
compose cellular proteomes. To this end, the availability of reliable three-dimensional …

Spatial structures of proteins are closely related to protein functions. Integrating protein
structures improves the performance of protein–protein interaction (PPI) prediction …

Assigning functional properties to a newly discovered protein is a key challenge in modern
biology. To this end, computational modeling of the three-dimensional atomic arrangement …

Many essential biological processes including cell regulation and signalling are mediated
through the assembly of protein complexes. Changes to protein-protein interaction (PPI) …

As the protein–protein interaction (PPI) data increase exponentially, the development and
usage of computational methods to analyze these datasets have become a new research …