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BMCBI
2005
116views more  BMCBI 2005»
13 years 8 months ago
WEBnm@: a web application for normal mode analyses of proteins
Background: Normal mode analysis (NMA) has become the method of choice to investigate the slowest motions in macromolecular systems. NMA is especially useful for large biomolecula...
Siv Midtun Hollup, Gisle Sælensminde, Nathal...
JCC
2007
79views more  JCC 2007»
13 years 8 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
CCE
2005
13 years 8 months ago
CFD analyses of complex flows
Computational fluid dynamics (CFD) of complex processes and complicated geometries embraces the transport of momentum, heat, and mass including the description of reaction kinetic...
Richard Farmer, Ralph Pike, Gary Cheng
AIM
2002
13 years 8 months ago
Computational Vulnerability Analysis for Information Survivability
The Infrastructure of modern society is controlled by software systems. These systems are vulnerable to attacks; several such attacks, launched by "recreation hackers" h...
Howard E. Shrobe
COMPUTER
2002
89views more  COMPUTER 2002»
13 years 8 months ago
A Pattern for Softcoded Values
rs use models or abstractions that hide low-level implementation details. Various kinds of representations such as data models, state-transition models, and dataflow models can hel...
Michael R. Blaha, Cheryl Smith