Figure 1.

Virtual screening online. Several research laboratories worldwide provide online virtual screening services. In the present survey, the identified main countries offering online virtual screening services (active URLs in February 2020) are (by alphabetic order): Austria, Australia, Brazil, Canada, China, Czech Republic, Denmark, France, Germany, India, Israel, Italy, Japan, Poland, Republic of Ecuador, Republic of Korea, Saudi Arabia, Spain, Switzerland, The Netherlands, Taïwan, Turkey, the UK and the USA. The map chart was created with Mapchart.net. The main LBVS methods are 2D similarity search, pharmacophores, QSAR models and shape/field alignments while for SBVS, the approaches involve docking, scoring and rescoring with various methods including consensus scoring, or different flavors of free energy calculations.