Editing Structural bioinformatics (section)

=== Virtual screening ===
[[Virtual screening]] (VS) is a computational approach used for fast screening of large compound libraries for [[drug discovery]]. Usually, virtual screening uses docking algorithms to rank small molecules with the highest affinity to a target receptor.

In recent times, several tools have been used to evaluate the use of virtual screening in the process of discovering new drugs. However, problems such as missing information, inaccurate understanding of drug-like molecular properties, weak scoring functions, or insufficient docking strategies hinder the docking process. Hence, the literature has described that it is still not considered a mature technology.<ref>{{cite book |last1=Dhasmana|first1=Anupam |last2=Raza |first2=Sana |last3=Jahan |first3=Roshan |last4=Lohani |first4=Mohtashim |last5=Arif |first5=Jamal M.| name-list-style = vanc |chapter=Chapter 19 - High-Throughput Virtual Screening (HTVS) of Natural Compounds and Exploration of Their Biomolecular Mechanisms: An In Silico Approach |date=2019-01-01 | title =New Look to Phytomedicine|pages=523–548|editor-last=Ahmad Khan|editor-first=Mohd Sajjad |editor2-last=Ahmad|editor2-first=Iqbal|editor3-last=Chattopadhyay|editor3-first=Debprasad|publisher=Academic Press |doi=10.1016/b978-0-12-814619-4.00020-3 |isbn=978-0-12-814619-4 |s2cid=69534557 }}</ref><ref>{{cite book | vauthors = Wermuth CG, Villoutreix B, Grisoni S, Olivier A, Rocher JP | chapter = Strategies in the search for new lead compounds or original working hypotheses. | veditors = Wermuth CG, Aldous D, Raboisson P, Rognan D | title = The practice of Medicinal Chemistry | date = January 2015 | pages = 73–99 | publisher = Academic Press | doi = 10.1016/B978-0-12-417205-0.00004-3 | isbn = 978-0-12-417205-0 }}</ref>