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NIPS
2004
14 years 12 days ago
Hierarchical Eigensolver for Transition Matrices in Spectral Methods
We show how to build hierarchical, reduced-rank representation for large stochastic matrices and use this representation to design an efficient algorithm for computing the largest...
Chakra Chennubhotla, Allan D. Jepson
ICAI
2003
14 years 11 days ago
A Quantitative Model of Capabilities in Multi-Agent Systems
Reasoning about capabilities in multi-agent systems is crucial for many applications. There are two aspects of reasoning about the capabilities of an agent to achieve its goals. O...
Linli He, Thomas R. Ioerger
BMCBI
2008
130views more  BMCBI 2008»
13 years 11 months ago
An enhanced partial order curve comparison algorithm and its application to analyzing protein folding trajectories
Background: Understanding how proteins fold is essential to our quest in discovering how life works at the molecular level. Current computation power enables researchers to produc...
Hong Sun, Hakan Ferhatosmanoglu, Motonori Ota, Yus...
JCC
2007
79views more  JCC 2007»
13 years 11 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. ...
JCB
1998
129views more  JCB 1998»
13 years 10 months ago
A Sticker-Based Model for DNA Computation
We introduce a new model of molecular computation that we call the sticker model. Like many previous proposals it makes use of DNA strands as the physical substrate in which infor...
Sam T. Roweis, Erik Winfree, Richard Burgoyne, Nic...