Stochastic optimization methods for structure prediction of biomolecular nanoscale systems
نویسنده
چکیده
The development of simulation techniques that can elucidate the function of biomolecular nanodevices is still in its infancy. In this paper we summarize our approach to the investigation of structural properties of biomolecular systems with stochastic optimization methods. We briefly review the stochastic tunnelling method and summarize applications in two important areas of biomolecular structure prediction: protein folding and protein–ligand association.
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