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JCC
2007
79views more  JCC 2007»
15 years 6 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. ...
AI
2002
Springer
15 years 6 months ago
The influence of social norms and social consciousness on intention reconciliation
Research on resource-bounded agents has established that rational agents need to be able to revise their commitments in light of new opportunities. In the context of collaborative...
Barbara J. Grosz, Sarit Kraus, David G. Sullivan, ...
BMCBI
2004
111views more  BMCBI 2004»
15 years 6 months ago
The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases
Background: The Hotdog fold was initially identified in the structure of Escherichia coli FabA and subsequently in 4-hydroxybenzoyl-CoA thioesterase from Pseudomonas sp. strain CB...
Shane C. Dillon, Alex Bateman
COMPUTER
2004
179views more  COMPUTER 2004»
15 years 6 months ago
Environmental Sensor Networks
Environmental Sensor Networks (ESNs) facilitate the study of fundamental processes and the development of hazard response systems. They have evolved from passive logging systems t...
Kirk Martinez, Jane K. Hart, Royan Ong
DSS
2002
220views more  DSS 2002»
15 years 6 months ago
Past, present, and future of decision support technology
Since the early 1970s, decision support systems (DSS) technology and applications have evolved significantly. Many technological and organizational developments have exerted an im...
J. P. Shim, Merrill Warkentin, James F. Courtney, ...