Cell–cell interactions orchestrate organismal development, homeostasis and single-cell
functions. When cells do not properly interact or improperly decode molecular messages …

Biomolecule-based nanostructures are inherently multifunctional and harbour diverse
biological activities, which can be explored for cancer nanomedicine. The supramolecular …

Proteins are essential to life, and understanding their structure can facilitate a mechanistic
understanding of their function. Through an enormous experimental effort–, the structures of …

Protein structures can provide invaluable information, both for reasoning about biological
processes and for enabling interventions such as structure-based drug development or …

Ever present hurdles for the discovery of new drugs for cancer therapy have necessitated
the development of the alternative strategy of drug repurposing, the development of old …

Molecular science entails the study of structures and properties of materials at the level of
single molecules or small interacting complexes of molecules. Moving beyond single …

The employment of weak intermolecular interactions in supramolecular chemistry offers an
alternative approach to project artificial chemical environments like the active sites of …

Proteins are nature's primary building blocks for the construction of sophisticated molecular
machines and dynamic materials, ranging from protein complexes such as photosystem II …

Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

The structural variability data of drug transporter (DT) are key for research on precision
medicine and rational drug use. However, these valuable data are not sufficiently covered …