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JCC
2006
103views more  JCC 2006»
13 years 8 months ago
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Oliver F. Lange, Lars V. Schäfer, Helmut Grub...
NAR
2006
87views more  NAR 2006»
13 years 8 months ago
From genomics to chemical genomics: new developments in KEGG
The increasing amount of genomic and molecular information is the basis for understanding higherorder biological systems, such as the cell and the 15 organism, and their interacti...
Minoru Kanehisa, Susumu Goto, Masahiro Hattori, Ki...
HYBRID
2001
Springer
14 years 1 months ago
Hybrid Modeling and Simulation of Biomolecular Networks
Abstract. In a biological cell, cellular functions and the genetic regulatory apparatus are implemented and controlled by a network of chemical reactions in which regulatory protei...
Rajeev Alur, Calin Belta, Franjo Ivancic
DNA
2011
Springer
233views Bioinformatics» more  DNA 2011»
12 years 8 months ago
Less Haste, Less Waste: On Recycling and Its Limits in Strand Displacement Systems
We study the potential for molecule recycling in chemical reaction systems and their DNA strand displacement realizations. Recycling happens when a product of one reaction is a rea...
Anne Condon, Alan J. Hu, Ján Manuch, Chris ...
WWW
2008
ACM
14 years 9 months ago
Mining, indexing, and searching for textual chemical molecule information on the web
Current search engines do not support user searches for chemical entities (chemical names and formulae) beyond simple keyword searches. Usually a chemical molecule can be represen...
Bingjun Sun, Prasenjit Mitra, C. Lee Giles