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108
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JCC
2007
79views more  JCC 2007»
15 years 3 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. ...
148
Voted
TOG
2008
174views more  TOG 2008»
15 years 3 months ago
Real-time smoke rendering using compensated ray marching
We present a real-time algorithm called compensated ray marching for rendering of smoke under dynamic low-frequency environment lighting. Our approach is based on a decomposition ...
Kun Zhou, Zhong Ren, Stephen Lin, Hujun Bao, Baini...
CSDA
2007
136views more  CSDA 2007»
15 years 3 months ago
A note on iterative marginal optimization: a simple algorithm for maximum rank correlation estimation
The maximum rank correlation (MRC) estimator was originally studied by Han [1987. Nonparametric analysis of a generalized regression model. J. Econometrics 35, 303–316] and Sher...
Hansheng Wang
166
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NAR
2011
227views Computer Vision» more  NAR 2011»
14 years 10 months ago
VnD: a structure-centric database of disease-related SNPs and drugs
Numerous genetic variations have been found to be related to human diseases. Significant portion of those affect the drug response as well by changing the protein structure and fu...
Jin Ok Yang, Sangho Oh, Gunhwan Ko, Seong-Jin Park...
174
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SIGMOD
2011
ACM
269views Database» more  SIGMOD 2011»
14 years 6 months ago
Advancing data clustering via projective clustering ensembles
Projective Clustering Ensembles (PCE) are a very recent advance in data clustering research which combines the two powerful tools of clustering ensembles and projective clustering...
Francesco Gullo, Carlotta Domeniconi, Andrea Tagar...