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ORCIDM. T. Barakat
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Journal Articles
- 1995
[j8]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties. J. Comput. Aided Mol. Des. 9(4): 341-350 (1995)- [j7]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception. J. Comput. Aided Mol. Des. 9(4): 351-358 (1995) - [j6]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs. J. Comput. Aided Mol. Des. 9(4): 359-372 (1995) - [j5]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity. J. Comput. Aided Mol. Des. 9(5): 448-456 (1995) - [j4]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity. J. Comput. Aided Mol. Des. 9(5): 457-462 (1995) - 1991
- [j3]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem. J. Comput. Aided Mol. Des. 5(2): 107-117 (1991) - 1990
- [j2]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules. J. Comput. Aided Mol. Des. 4(3): 295-316 (1990) - [j1]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems. J. Comput. Aided Mol. Des. 4(3): 317-330 (1990)
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