… Since the correct prediction of ligand−protein … of a docking program for virtual screening.
However, the performances on the docking pose prediction do not directly reflect the screening …

… for cognate ligand docking and the HTVS protocol for virtual screening have been used.
The SP protocol was not included in the main section of the virtual screening study, since this …

… We survey low cost high-throughput virtual screening (HTVS) computer programs for instructors
who wish to demonstrate molecular docking in their courses. Since HTVS programs are …

… In 1991, Shoichet and Kuntz 62 noted that in protein−protein docking studies with DOCK
many false positives represented what seemed to be, upon visual inspection, reasonable …

… Virtual screening involves a number of … of a virtual compound collection to a more manageable
size. In this paper we describe the use of molecular docking as a virtual screening tool. In …

… tool in … molecules to their biological activity. In this paper, a comprehensive review on
several computational tools of SBDD and LBDD such as virtual screening, molecular docking and …

… anthracis DHPS (Figure 4) was used for all the molecular docking exercises performed in
this study. We have determined the structures of B. anthracis DHPS in complex with several …

… speed of molecular docking software and the strategy of high-throughput molecular docking
… -scale virtual screening. The development of Web services helps lower the barrier to drug …

… generated by the molecular docking program present implicit non-polar hydrogen atoms.
This result does not affect the overall interpretation of the molecular interactions; however, it is …

… a virtual screening study, while simultaneously providing a theoretical explanation of docking
… This review will provide guidelines, but there is no “one-rule-fits-all” in molecular docking. …