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Towards a GRID Based Portal for an a Priori Molecular Simulation of Chemical Reactivity.
Osvaldo Gervasi
Antonio Laganà
Matteo Lobbiani
Published in:
International Conference on Computational Science (3) (2002)
Keyphrases
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drug discovery
three dimensional
mathematical model
molecular dynamics
simulation model
simulation models
information retrieval
bayesian networks
high fidelity
dna computing
chemical reaction
virtual screening
numerical simulations
chemical reactions
molecular dynamics simulations