Joined: 10 Apr 09
what did you mean by "refinement" in:
"These applications are used for refinement of 3D structures for offline modelled biotargets"
Generally, we aim to both of these goals. The more reliable is refinement of X-ray structures of proteins by molecular dynamics. Also rather reliable is refinement of homology based models (in this case we really create new 3D models). The most difficult is the modeling of proteins by amino acid sequence without any experimental structural data. The last one is good goal which different groups try to achieve by Monte Carlo methods and so on. The two first methods we'll use for sure. And for the last task we'll maybe collaborate with some groups and we need to chose a reliable method (or the most reliable of what exists now). -Andrey Voronkov
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