Cancer is considered as one of the most serious health problems. Despite the presence of
many effective chemotherapeutic agents, their severe side effects together with the …

Fragment-based screening is an emerging technology which is used as an alternative to
high-throughput screening (HTS), and often in parallel. Fragment screening focuses on very …

Predicting off-targets by computational methods is gaining increasing interest in early-stage
drug discovery. Here, we present a computational method based on full 3D comparisons of …

Allosteric modulators of G protein-coupled receptors (GPCRs), which target at allosteric
sites, have significant advantages against the corresponding orthosteric compounds …

Chemogenomics is a new interdisciplinary research field aiming at the genome‐wide
systematic identification, expansion, analysis, and prediction of ligand–protein interactions …

There is a strong need for new antimitotic drugs that overcome the limitations of the currently
used antitubulin compounds, mainly neurotoxicity and the development of resistance. One of …

Members of the Royal family of proteins are readers of the histone code that contain
aromatic cages capable of recognizing specific sequences and lysine methylation states on …

Ligand–protein interactions are essential for biological processes, and precise
characterization of protein binding sites is crucial to understand protein functions. MED …

Following the elucidation of the human genome, chemogenomics emerged in the beginning
of the twenty-first century as an interdisciplinary research field with the aim to accelerate …

BimC family proteins are bipolar motor proteins belonging to the kinesin superfamily which
promote mitosis by crosslinking and sliding apart antiparallel microtubules. Understanding …