Parallel reconstruction of multiple depth slice images with focused parts in integral imaging via graphics processing unit

2015 ◽  
Author(s):  
Faliu Yi ◽  
Inkyu Moon
2012 ◽  
Vol 8 (12) ◽  
pp. 714-722 ◽  
Author(s):  
Faliu Yi ◽  
Inkyu Moon ◽  
Jeong-A Lee ◽  
Bahram Javidi

2014 ◽  
Vol 53 (01) ◽  
pp. 1 ◽  
Author(s):  
Ji-Seong Jeong ◽  
Ki-Chul Kwon ◽  
Munkh-Uchral Erdenebat ◽  
Yanling Piao ◽  
Nam Kim ◽  
...  

2007 ◽  
Author(s):  
Fredrick H. Rothganger ◽  
Kurt W. Larson ◽  
Antonio Ignacio Gonzales ◽  
Daniel S. Myers

2021 ◽  
Vol 22 (10) ◽  
pp. 5212
Author(s):  
Andrzej Bak

A key question confronting computational chemists concerns the preferable ligand geometry that fits complementarily into the receptor pocket. Typically, the postulated ‘bioactive’ 3D ligand conformation is constructed as a ‘sophisticated guess’ (unnecessarily geometry-optimized) mirroring the pharmacophore hypothesis—sometimes based on an erroneous prerequisite. Hence, 4D-QSAR scheme and its ‘dialects’ have been practically implemented as higher level of model abstraction that allows the examination of the multiple molecular conformation, orientation and protonation representation, respectively. Nearly a quarter of a century has passed since the eminent work of Hopfinger appeared on the stage; therefore the natural question occurs whether 4D-QSAR approach is still appealing to the scientific community? With no intention to be comprehensive, a review of the current state of art in the field of receptor-independent (RI) and receptor-dependent (RD) 4D-QSAR methodology is provided with a brief examination of the ‘mainstream’ algorithms. In fact, a myriad of 4D-QSAR methods have been implemented and applied practically for a diverse range of molecules. It seems that, 4D-QSAR approach has been experiencing a promising renaissance of interests that might be fuelled by the rising power of the graphics processing unit (GPU) clusters applied to full-atom MD-based simulations of the protein-ligand complexes.


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