Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1990)

Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1990)

Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1991)

The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1995)

The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1995)

The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1995)

The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1995)

The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity. - M. T. Barakat; P. M. Dean (J. Comput. Aided Mol. Des., 1995)