… on which FRED failed to generate docking poses because of … pose classifiers (ie, PFs),
106 were optimal models for pose prediction, whose values of both CV accuracy and prediction …

… FlexX, FRED, and HYBRID were selected for a prospective VS against the Bacillus subtilis
preQ 1 -RS. All three programs showed high accuracy in binding mode prediction with re-…

… When ligand-binding information was available in the receptor, HYBRID was used due to
its increased pose prediction accuracy over FRED. (19) HYBRID and FRED have the same …

… A compound docked by FRED, for example, may not result in … The preferred solution
would be separate pose prediction … We find that ranking by MVC gains enrichment accuracy …

… , we selected top-ranking compounds from the lists of FRED and Vina, respectively. … , and
it was able to classify poses in a CV accuracy of 86.75% and a prediction accuracy of 87%. We …

… of computational solvent mapping with virtual screening was performed with FRED. This …
the ligand to a better pose and more accurately distinguish active from inactive molecules. …

… In the Procedure, we outline the steps to prepare grids for docking with Glide or FRED. … ,
reporting sample size, test set recall value, test set precision and predicted number of remaining …

… Unfortunately, structure-based virtual screening (SBVS) that … a prediction accuracy (PA)
value of 92.49% and the poses of … of 3RUT by FRED, with only the top-scoring pose retained for …

… -protein structure using FRED from OEDock (v3.2.0.2), generating 1000 docked poses, and
… given the force fields, protonation states, accuracy of our model, and simulation timescales …

… as the popular FRED Chemgauss4 scoring function (64). … We took for each method the
top five predicted activities for … We then calculated accuracy, precision, recall, area under …