… Abstract A virtual screening methodology combining a discriminant function (df) based on …
identify new anticonvulsant agents among 10903 natural products. Fifty-six compounds were …

… Negative design is a group of virtual screening methods that aims at … These methods are
mainly designed to predict three … high screening efficiency, most negative design methods are …

… based virtual screening to natural product libraries has just emerged a few years ago. Only
the … of natural product virtual libraries has enabled pharmacophore-based screening for …

… molecular docking method was carried out to virtually screen a library of 1,042 natural
compounds based on the METTL3 crystal structure. On the basis of the virtual screening scores …

… Summarizing, our study demonstrates the potential of natural-product derived combinatorial
libraries for hit and lead structure finding. A two-step ligand-based virtual screening protocol …

… eSynth opens up a possibility to rapidly construct virtual screening libraries for targeted drug
… libraries for virtual screening, we developed eSynth, a new fragment-based approach to …

… One remedy for improving the performance of virtual screening methods is to … virtual screening.
One limiting factor in the application of free energy calculations to large chemical libraries …

… natural products were virtually screened by targeting PD-L1. In order to predict a variety of
marine natural products … natural products to perform virtual screening of PD-L1 detection sites. …

… We evaluated support vector machines (SVM) as virtual screening tools for searching Src
inhibitors from large compound libraries. SVM trained and tested by 1,703 inhibitors and …

… -based virtual screening technique by using the Schrödinger suite. A total of 150 molecules
have been shortlisted from our in-house library of synthetic and natural products based on …