Multilevel parallel optimization using massively parallel structural dynamics

2004 ◽  
Vol 27 (1-2) ◽  
pp. 97-109 ◽  
Author(s):  
M.S. Eldred ◽  
A.A. Giunta ◽  
B.G. van Bloemen Waanders
Keyword(s):  
Structural Dynamics ◽  
Massively Parallel ◽  
Parallel Optimization

Multilevel parallel optimization using massively parallel structural dynamics

2001 ◽  
Author(s):  
Bart van Bloemen Waanders ◽  
Michael Eldred ◽  
Anthony Giunta ◽  
Garth Reese ◽  
Manoj Bhardwaj ◽  
...  
Keyword(s):  
Structural Dynamics ◽  
Massively Parallel ◽  
Parallel Optimization

Neural nets for massively parallel optimization

1992 ◽  
Author(s):  
Laurence C. W. Dixon ◽  
David Mills
Keyword(s):  
Neural Nets ◽  
Massively Parallel ◽  
Parallel Optimization

scholarly journals SALINAS - An implicit finite element structural dynamics code developed for massively parallel platforms

2000 ◽  
Author(s):  
Manoj Bhardwaj ◽  
Garth Reese ◽  
Brian Driessen ◽  
Kenneth Alvin ◽  
David Day
Keyword(s):  
Finite Element ◽  
Structural Dynamics ◽  
Massively Parallel

Massively Parallel Optimization of the Linker Domain in Small Molecule Dimers Targeting a Toxic r(CUG) Repeat Expansion

2021 ◽  
Author(s):  
Simon Vezina-Dawod ◽  
Alicia J. Angelbello ◽  
Shruti Choudhary ◽  
Kye Won Wang ◽  
Ilyas Yildirim ◽  
...  
Keyword(s):  
Small Molecule ◽  
Repeat Expansion ◽  
Massively Parallel ◽  
Parallel Optimization ◽  
Linker Domain

Structural dynamics of P-type ATPase ion pumps

2019 ◽  
Vol 47 (5) ◽  
pp. 1247-1257 ◽  
Author(s):  
Mateusz Dyla ◽  
Sara Basse Hansen ◽  
Poul Nissen ◽  
Magnus Kjaergaard
Keyword(s):  
Structural Dynamics ◽  
Single Molecule ◽  
New Technologies ◽  
Atp Hydrolysis ◽  
Resonance Energy Transfer ◽  
Resonance Energy ◽  
Time Resolved ◽  
Dynamics Simulations ◽  
Types Of Information ◽  
P Type

Abstract P-type ATPases transport ions across biological membranes against concentration gradients and are essential for all cells. They use the energy from ATP hydrolysis to propel large intramolecular movements, which drive vectorial transport of ions. Tight coordination of the motions of the pump is required to couple the two spatially distant processes of ion binding and ATP hydrolysis. Here, we review our current understanding of the structural dynamics of P-type ATPases, focusing primarily on Ca2+ pumps. We integrate different types of information that report on structural dynamics, primarily time-resolved fluorescence experiments including single-molecule Förster resonance energy transfer and molecular dynamics simulations, and interpret them in the framework provided by the numerous crystal structures of sarco/endoplasmic reticulum Ca2+-ATPase. We discuss the challenges in characterizing the dynamics of membrane pumps, and the likely impact of new technologies on the field.

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