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JCC
2007
79views more  JCC 2007»
14 years 9 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. ...
TMI
2008
116views more  TMI 2008»
14 years 9 months ago
Reduced Encoding Diffusion Spectrum Imaging Implemented With a Bi-Gaussian Model
Diffusion spectrum imaging (DSI) can map complex fiber microstructures in tissues by characterizing their 3-D water diffusion spectra. However, a long acquisition time is required ...
Chun-Hung Yeh, Kuan-Hung Cho, Hsuan-Cheng Lin, Jiu...
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BMCBI
2004
100views more  BMCBI 2004»
14 years 9 months ago
Handling multiple testing while interpreting microarrays with the Gene Ontology Database
Background: The development of software tools that analyze microarray data in the context of genetic knowledgebases is being pursued by multiple research groups using different me...
Michael V. Osier, Hongyu Zhao, Kei-Hoi Cheung
SIAMAM
2000
128views more  SIAMAM 2000»
14 years 9 months ago
Advection-Diffusion Equations for Internal State-Mediated Random Walks
Abstract. In many biological examples of biased random walks, movement statistics are determined by state dynamics that are internal to the organism or cell and that mediate respon...
Daniel Grünbaum
CPC
1999
105views more  CPC 1999»
14 years 9 months ago
Total Path Length For Random Recursive Trees
Total path length, or search cost, for a rooted tree is defined as the sum of all root-to-node distances. Let Tn be the total path length for a random recursive tree of order n. M...
Robert P. Dobrow, James Allen Fill