Using an annealing genetic algorithm to solve global energy minimization problem in molecular binding
Resource
Tools with Artificial Intelligence, 1994. Proceedings., Sixth International Conference on
Journal
Tools with Artificial Intelligence, 1994. Proceedings., Sixth International Conference on
Pages
-
Date Issued
1994-11
Date
1994-11
Author(s)
DOI
N/A
Abstract
Molerular bzndzng, zmporlant an drug deszgn, explorcs thc accvratc bzndang structures between molecules Thzs exploratzon can be formulated as an ylobd opfzmizntzon problem Howerrc r, thf problem an molecular bandang is that the search space as very large and tht coinputatzontzl os1 zntrmses trerncndously with the growth of the tlryrees offreedom In this paper. w e utz1ize a new alqorzthm callcd the annealanq genetic algorithm to solve the ylohal optamazatzon problem i n niolrcular bandznq Usiitg an protcan wzth threr iintt-cancer drugs zii our model, our algorithm can find n bandzng strucfiirc uuth a complicated energy coniputatzon wathan a couple of hours and the erperarnerital results Indicate that the sohtzons are reasonablc
Type
journal article
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