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JCC
2007
79views more  JCC 2007»
13 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. ...
BMCBI
2004
92views more  BMCBI 2004»
13 years 9 months ago
BioBuilder as a database development and functional annotation platform for proteins
Background: The explosion in biological information creates the need for databases that are easy to develop, easy to maintain and can be easily manipulated by annotators who are m...
J. Daniel Navarro, Naveen Talreja, Suraj Peri, B. ...
DCG
2000
67views more  DCG 2000»
13 years 9 months ago
A Theorem on Higher Bruhat Orders
We show that inclusion order and single-step inclusion coincide for higher Bruhat orders B(n; 2), i.e., B(n; 2) = B (n; 2). Mathematics Subject Classi cations (1991). 06A06, 51G05,...
Stefan Felsner, Helmut Weil
CONCURRENCY
2002
230views more  CONCURRENCY 2002»
13 years 9 months ago
Economic models for resource management and scheduling in Grid computing
: The accelerated development in Peer-to-Peer (P2P) and Grid computing has positioned them as promising next generation computing platforms. They enable the creation of Virtual Ent...
Rajkumar Buyya, David Abramson, Jonathan Giddy, He...
SIAMCOMP
1998
138views more  SIAMCOMP 1998»
13 years 9 months ago
Dynamic Trees and Dynamic Point Location
This paper describes new methods for maintaining a point-location data structure for a dynamically changing monotone subdivision S. The main approach is based on the maintenance of...
Michael T. Goodrich, Roberto Tamassia
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