| 2002 |
|---|
| 7 | EE | Stephen J. Titmuss,
Peter L. Cummins,
Alistair P. Rendell,
Andrey A. Bliznyuk,
Jill E. Gready:
Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis.
Journal of Computational Chemistry 23(14): 1314-1322 (2002) |
| 2000 |
|---|
| 6 | | Alistair P. Rendell,
Andrey A. Bliznyuk,
Thomas Huber,
Ross H. Nobes,
Elena V. Akhmatskaya,
Herbert A. Früchtl,
Paul W.-C. Kung,
Victor Milman,
Han Lung:
Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software.
Parallel Computing 26(7-8): 887-911 (2000) |
| 1999 |
|---|
| 5 | EE | Andrey A. Bliznyuk,
Alistair P. Rendell:
Faster gradients for semiempirical methods.
Journal of Computational Chemistry 20(6): 629-635 (1999) |
| 4 | EE | Andrey A. Bliznyuk,
Jill E. Gready:
Simple method for locating possible ligand binding sites on protein surfaces.
Journal of Computational Chemistry 20(9): 983-988 (1999) |
| 1998 |
|---|
| 3 | EE | Andrey A. Bliznyuk,
Jill E. Gready:
Identification and energetic ranking of possible docking sites for pterin on dihydrofolate reductase.
Journal of Computer-Aided Molecular Design 12(4): 325-333 (1998) |
| 1996 |
|---|
| 2 | EE | Andrey A. Bliznyuk,
Jill E. Gready:
Numerical calculation of molecular surface area. I.Assessment of Errors.
Journal of Computational Chemistry 17(8): 962-969 (1996) |
| 1 | EE | Andrey A. Bliznyuk,
Jill E. Gready:
Numerical calculation of molecular surface area. II. Speed of calculation.
Journal of Computational Chemistry 17(8): 970-975 (1996) |
