Graphics processing unit accelerated one-dimensional blood flow computation in the human arterial tree

2013 ◽  
Vol 29 (12) ◽  
pp. 1428-1455 ◽  
Author(s):  
Lucian Itu ◽  
Puneet Sharma ◽  
Ali Kamen ◽  
Constantin Suciu ◽  
Dorin Comaniciu
Keyword(s):  
Blood Flow ◽  
Graphics Processing Unit ◽  
Processing Unit ◽  
Arterial Tree ◽  
One Dimensional ◽  
Flow Computation ◽  
Graphics Processing

scholarly journals Fine-sorting one-dimensional particle-in-cell algorithm with Monte-Carlo collisions on a graphics processing unit

2011 ◽  
Vol 182 (10) ◽  
pp. 2161-2167 ◽  
Author(s):  
Philipp Mertmann ◽  
Denis Eremin ◽  
Thomas Mussenbrock ◽  
Ralf Peter Brinkmann ◽  
Peter Awakowicz
Keyword(s):  
Monte Carlo ◽  
Graphics Processing Unit ◽  
Processing Unit ◽  
One Dimensional ◽  
Particle In Cell ◽  
Graphics Processing

Implementing wide baseline matching algorithms on a graphics processing unit.

2007 ◽  
Author(s):  
Fredrick H. Rothganger ◽  
Kurt W. Larson ◽  
Antonio Ignacio Gonzales ◽  
Daniel S. Myers
Keyword(s):  
Graphics Processing Unit ◽  
Processing Unit ◽  
Wide Baseline Matching ◽  
Graphics Processing

scholarly journals Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?

2021 ◽  
Vol 22 (10) ◽  
pp. 5212
Author(s):  
Andrzej Bak
Keyword(s):  
Molecular Conformation ◽  
Graphics Processing Unit ◽  
Processing Unit ◽  
Diverse Range ◽  
Current State ◽  
Gpu Clusters ◽  
Pharmacophore Hypothesis ◽  
Rising Power ◽  
Graphics Processing ◽  
Ligand Conformation

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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