Structure-based virtual screening (SBVS), also known as molecular docking, has been
increasingly applied to discover small-molecule ligands based on the protein structures in …

Solute carrier (SLCs) transporters mediate the transport of a broad range of solutes across
biological membranes. Dysregulation of SLCs has been associated with various …

Recently,'tangible'virtual libraries have made billions of molecules readily available.
Prioritizing these molecules for synthesis and testing demands computational approaches …

Molecular docking has become an essential part of a structural biologist's and medicinal
chemist's toolkits. Given a chemical compound and the three-dimensional structure of a …

ABSTRACT Introduction Solute carriers (SLCs) represent the largest group of membrane
transporters in the human genome. They play a central role in controlling the …

Antiviral therapeutics to treat SARS‐CoV‐2 are needed to diminish the morbidity of the
ongoing COVID‐19 pandemic. A well‐precedented drug target is the main viral protease …

Solute carrier transporters (SLCs) are a class of important transmembrane proteins that are
involved in the transportation of diverse solute ions and small molecules into cells. There are …

The serotonin transporter (SERT) tightly regulates synaptic serotonin levels and has been
the primary target of antidepressants. Binding of inhibitors to the allosteric site of human …

Large-scale drug screening is currently the basis for the identification of new chemical
entities. This is a rather laborious approach, because a large number of compounds must be …

Molecular-level investigations of the Central Nervous System have been revolutionized by
the development of computational methods, computing power, and capacity advances …