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Artificial intelligence for drug design

Combining rational and irrational approaches to bring drug design to the desktop.

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References

  1. Sun, E. and Cohen, F.E. 1993. Computer-assisted drug discovery—A review. Gene 137: 127–132.

    Article  CAS  Google Scholar 

  2. Forrest, S. 1993. Genetic algorithms: Principles of natural selection applied to computation. Science 261: 872–878.

    Article  CAS  Google Scholar 

  3. Holland, J.H. 1975. Adaptation in Natural and Artificial Systems. University of Michigan Press, Ann Arbor, Ml.

    Google Scholar 

  4. Jones, G., Willett, P. and Glen, R.C. 1995. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J. Mol. Biol. 245: 43–53.

    Article  CAS  Google Scholar 

  5. Oshiro, C.M., Kuntz, I.D., and Dixon, J.S., 1995. Flexible Iigand docking using a genetic algorithm. J. Comput.-Aid. Mol. Des. 9: 113–130.

    Article  CAS  Google Scholar 

  6. Dandekar, T. and Argos, P. 1994. Folding the main chain of small proteins with the genetic algorithm. J. Mol. Biol. 236: 844–661.

    Article  CAS  Google Scholar 

  7. Unger, R. and Moult, J. 1993. Genetic algorithms for protein folding simulations. J. Mol. Biol. 231: 75–81.

    Article  CAS  Google Scholar 

  8. Ogata, H., Akiyama, Y. and Kanehisa, M. 1995. A genetic algorithm-based molecular modeling technique for RNA stem-loop structures.Nucl. Acids Res. 23: 419–426.

    Article  CAS  Google Scholar 

  9. Gultyaev, A.P., Van Batenburg, F.H.D. and Pleij, C.W.A. 1995. The computer simulation of RNA folding pathways using a genetic algorithm. J. Mol. Biol. 250: 37–51.

    Article  CAS  Google Scholar 

  10. Glen, R.C., and Payne, A.W.R. 1995. A genetic algorithm for the automated generation of molecules with constraints. J. Comput.-Aid. Mol. Des. 9: 181–202.

    Article  CAS  Google Scholar 

  11. May, A.C.W. and Johnson, M.S. 1994. Protein structure comparisons using a combination of a genetic algorithm, dynamic programming and least-squares minimization. Prot Eng. 7: 475–485.

    Article  CAS  Google Scholar 

  12. Sun, S. 1993. Reduced representation model of protein structure prediction: statistical potential and genetic algorithms. Protein Sci. 2: 762–785.

    Article  CAS  Google Scholar 

  13. Brodmeier, T. and Pretsch, E. 1994. Application of genetic algorithms in molecular modeling. J. Comput. Chem. 15: 588–595.

    Article  CAS  Google Scholar 

  14. Persidis, A. and Persidis, A., 1995. Genetic algorithms and molecular folding. Al Expert Special lssue: 9–15.

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Persidis, A., Persidis, A. Artificial intelligence for drug design. Nat Biotechnol 15, 1035–1036 (1997). https://doi.org/10.1038/nbt1097-1035

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