SH Lu, JW Wu, HL Liu, JH Zhao, KT Liu… - Journal of Biomedical …, 2011 - Springer
… Then we used moleculardocking and consensus scoring methods, as added tools for virtual screening to minimize these errors. Through our dockingstudy, the important interactions …
… pharmacophore, virtualscreening and moleculardockingstudies. In this study, software packages DS and LigandScout were used for the identification and visualization of protein–…
… In this study, virtualscreening, also called in silico screening, was chosen to provide a rapid … Virtualscreening and moleculardocking results revealed promising potential hit compounds …
… virtualscreening (HTVS) computer programs for instructors who wish to demonstrate molecular docking in … , the topic of moleculardocking is core to the instruction of biochemistry and …
EM Marinho, JB de Andrade Neto, J Silva… - Microbial …, 2020 - Elsevier
… Our moleculardocking routines demonstrated that this molecule led to the formation of three interactions with the protein target, one of the Conventional Hydrogen Bond type (Tyr239 (…
… a virtualscreeningstudy, while simultaneously providing a theoretical explanation of docking … This review will provide guidelines, but there is no “one-rule-fits-all” in moleculardocking. …
K Onodera, K Satou, H Hirota - … information and modeling, 2007 - ACS Publications
… Since the correct prediction of ligand−protein … of a docking program for virtualscreening. However, the performances on the docking pose prediction do not directly reflect the screening …
R Kavitha, S Karunagaran, SS Chandrabose, KW Lee… - Biosystems, 2015 - Elsevier
… best Hypo1, virtualscreening to identify to the potential leads, ADME properties and Lipinski's rule of five used to make the molecules as druglikeness, dockingstudies was carried out …
… The main objective of the present study was to discover new molecular entity that acts as a … We initiated our study by pharmacophore modeling and virtualscreening technique. A study …