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JCC
2007
79views more  JCC 2007»
15 years 4 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. ...
JMIV
2007
92views more  JMIV 2007»
15 years 4 months ago
Uniquely-Determined Thinning of the Tie-Zone Watershed Based on Label Frequency
There are many watershed transform algorithms in literature but most of them do not exactly correspond to their respective definition. The solution given by such algorithms depend...
Romaric Audigier, Roberto de Alencar Lotufo
TSP
2008
179views more  TSP 2008»
15 years 4 months ago
Estimation in Gaussian Graphical Models Using Tractable Subgraphs: A Walk-Sum Analysis
Graphical models provide a powerful formalism for statistical signal processing. Due to their sophisticated modeling capabilities, they have found applications in a variety of fie...
V. Chandrasekaran, Jason K. Johnson, Alan S. Wills...
151
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BMCBI
2004
150views more  BMCBI 2004»
15 years 4 months ago
Cross-species comparison significantly improves genome-wide prediction of cis-regulatory modules in Drosophila
Background: The discovery of cis-regulatory modules in metazoan genomes is crucial for understanding the connection between genes and organism diversity. It is important to quanti...
Saurabh Sinha, Mark D. Schroeder, Ulrich Unnerstal...
160
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CGF
2004
97views more  CGF 2004»
15 years 4 months ago
Implicit Visualization and Inverse Modeling of Growing Trees
A method is proposed for photo-realistic modeling and visualization of a growing tree. Recent visualization methods have focused on producing smoothly blending branching structure...
Callum Galbraith, Lars Mündermann, Brian Wyvi...
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