… , known as virtual screening, is to computationally screen large libraries of chemicals for
compounds that complement targets of known structure, and experimentally test those that are …

… of chemical libraries beyond a billion molecules, more efficient virtual screening approaches
… fold acceleration of structure-based virtual screening by docking only a subset of a chemical …

… Herein, we review recent advancements in structure-based methods for ultra-large virtual
screening that drug discovery practitioners have adopted to explore the ever-expanding …

… methods for virtual screening of pharmacodynamically active compounds from large compound
libraries, … as pharmacophore and clustering) virtual screening methods. The feasibility to …

… high-throughput screening technology, the virtual screening … Virtual screening and filtering
methods are now routinely … on the quality of the available screening libraries. On the basis of …

… proper lead compound for a given molecular target is a critical step in the process of drug
discovery. Traditionally high-throughput screening (HTS) of large chemical libraries has been …

… as it approaches (high level quantum mechanics calculations would provide the most
accurate description but are impractical for high-throughput virtual screening). The electrostatic …

… from chemical libraries, including large libraries that have … virtual screening methods for
enhanced performance in searching large chemical libraries, their applications in screening …

… methods, such as radioligand binding or detection of membrane potential changes by fluorescent
dyes, are indirect and not very reliable. With the aid of a large … virtual screening method …

… chemical databases and billions of compounds in synthetically feasible virtual chemical libraries
for virtual screening … common problem of virtual screening that is the major theme of this …