… virtual screening against the SARS-CoV-2 M pro binding site using the library of Marine Natural
Products … structure employed as input, the virtual screening on the 164,952 conformers of …

… In the current study, we used computational biology to screen and dock a library of natural
compounds to inhibit human TMPRSS2, which facilitates the entry of SARS-CoV-19 onto host …

… , molecular docking and supervised machine learning techniques. For this purpose, we used
a library … as anti-SARS-CoV-2 drugs as well as two chemical libraries with natural products. …

… of compounds evaluated in a virtual screen by orders of … all of the tasks in the virtual screening
process. Such a platform … performance of VFVS, we screened a virtual library of 1.3 billion …

… unexplored topic in the virtual screening process. Section Virtual Databases will list the main
virtual databases used in this task. Section Virtual screening algorithms presents the main …

… natural compound database library. To create the database for pharmacophore based virtual
screening… ZINC natural products and ZINC natural derivatives” consist millions of Drug-like, …

… In this study, we screened a large library of over 606 million compounds with the aim to
discover novel inhibitors for the SARS-CoV-2 main protease. We designed a protocol consisting …

… For example, the prior virtual screening of known NPs can prevent loss of time with extracting
and … The pan-African natural products library (p-ANAPL) also needs to be cited here, as it …

… Here we apply this model to perform large-scale virtual screening. Since the method is …
We have applied DFCNN model to perform virtual screening against these three libraries for …

… screening and other in silico applications. In this manuscript we present the online version of
the COlleCtion of Open Natural prodUcTs (… The CDK [13] library is used to process chemical …