| 1995 |
|---|
| 14 | | M. T. Barakat,
P. M. Dean:
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties.
Journal of Computer-Aided Molecular Design 9(4): 341-350 (1995) |
| 13 | | 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.
Journal of Computer-Aided Molecular Design 9(4): 351-358 (1995) |
| 12 | | 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.
Journal of Computer-Aided Molecular Design 9(4): 359-372 (1995) |
| 11 | | 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.
Journal of Computer-Aided Molecular Design 9(5): 448-456 (1995) |
| 10 | | 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.
Journal of Computer-Aided Molecular Design 9(5): 457-462 (1995) |
| 9 | | C. S. Poornima,
P. M. Dean:
Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions.
Journal of Computer-Aided Molecular Design 9(6): 500-512 (1995) |
| 8 | | C. S. Poornima,
P. M. Dean:
Hydration in drug design. 2. Influence of local site surface shape on water binding.
Journal of Computer-Aided Molecular Design 9(6): 513-520 (1995) |
| 7 | | C. S. Poornima,
P. M. Dean:
Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.
Journal of Computer-Aided Molecular Design 9(6): 521-531 (1995) |
| 1994 |
|---|
| 6 | | P.-L. Chau,
P. M. Dean:
Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects.
Journal of Computer-Aided Molecular Design 8(5): 513-525 (1994) |
| 5 | | P.-L. Chau,
P. M. Dean:
Electrostatic complementarity between proteins and ligands. 2. Ligand moieties.
Journal of Computer-Aided Molecular Design 8(5): 527-544 (1994) |
| 4 | | P.-L. Chau,
P. M. Dean:
Electrostatic complementarity between proteins and ligands. 3. Structural basis.
Journal of Computer-Aided Molecular Design 8(5): 545-564 (1994) |
| 1992 |
|---|
| 3 | | P.-L. Chau,
P. M. Dean:
Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly.
Journal of Computer-Aided Molecular Design 6(4): 385-396 (1992) |
| 2 | | P.-L. Chau,
P. M. Dean:
Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly.
Journal of Computer-Aided Molecular Design 6(4): 397-406 (1992) |
| 1 | | P.-L. Chau,
P. M. Dean:
Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.
Journal of Computer-Aided Molecular Design 6(4): 407-426 (1992) |
