Sentence examples for using a virtual screening from inspiring English sources

Using a virtual screening strategy like docking can alleviate some of the problems and save a considerable amount of time by selecting only top-ranking molecules, but only if the method is very efficient, i.e. when a good proportion of actives are found in the 1 10 % best ranked molecules.

We used a company, Argenta Discovery UK, to search similar commercially available structures to quinolones using a virtual screening technique.

Using a virtual screening approach, 4-hydroxytamoxifen, the active metabolite of the anti-estrogen drug tamoxifen, was identified as a putative Hsp90 ligand.

We recently reported a series of DHPS inhibitors that target the pterin-binding pocket using a virtual screening approach based on our structural studies of the B. anthracis enzyme [12], [26].

Hence, 4-hydroxytamoxifen (4-OHT), the active metabolite of TAM, was docked to the crystal structure of over 4000 druggable pockets extracted from the protein data bank using a virtual screening approach [19].

Using a virtual screening approach, Rongmin et al. found that 4-hydroxytamoxifen, the active metabolite of tamoxifen, could cause activation of Hsp90 ATPase at micromolar drug concentrations [ 31].

While our manuscript was under preparation, a report came out describing the identification of APE1 inhibitors using a virtual screen with a set of three-dimensional pharmacophore models generated based on key interactions of abasic DNA with the enzyme active site [45].

Players will then be able to chat with their instant-messaging contacts using a virtual on-screen keyboard or a U.S.B. keyboard plugged into the game machine.

These classification models could be used as a virtual screening tool to predict the active class of new candidates.

The obtained metrics are comparable to results obtained with other approaches based on 2D-fingerprints or standard shape-based methods, indicating that the spectrophore technology can also be used as a virtual screening platform.

These results demonstrate the robustness of the model in handling the intrinsic imbalance problem in HTS data and indicate that the model can be used as a virtual screening tool to identify potential interference compounds in luciferase-based HTS experiments.