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JCC
2006
13 years 8 months ago
2006
: We describe the implementation of a general and flexible Monte Carlo (MC) module for the program CHARMM, which is used widely for modeling biomolecular systems with empirical ene...
GECCO
2003
Springer
14 years 1 months ago
2003
Springer
We explore the advantages of DNA-like genomes for evolutionary computation in silico. Coupled with simulations of chemical reactions, these genomes offer greater efficiency, reliab...
JCC
2000
13 years 8 months ago
2000
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
BMCBI
2011
13 years 3 months ago
2011
Background: Bioinformatic analyses typically proceed as chains of data-processing tasks. A pipeline, or ‘workflow’, is a well-defined protocol, with a specific structure defin...
BMCBI
2007
13 years 8 months ago
2007
Background: Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans...