| 2006 |
|---|
| 8 | EE | Nikolay P. Todorov,
Philippe H. Monthoux,
Ian L. Alberts:
The Influence of Variations of Ligand Protonation and Tautomerism on Protein-Ligand Recognition and Binding Energy Landscape.
Journal of Chemical Information and Modeling 46(3): 1134-1142 (2006) |
| 7 | EE | Stuart Firth-Clark,
Nikolay P. Todorov,
Ian L. Alberts,
Anthony Williams,
Timothy James,
Philip M. Dean:
Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase.
Journal of Chemical Information and Modeling 46(3): 1168-1173 (2006) |
| 2005 |
|---|
| 6 | EE | Nikolay P. Todorov,
Christoph L. Buenemann,
Ian L. Alberts:
Combinatorial Ligand Design Targeted at Protein Families.
Journal of Chemical Information and Modeling 45(2): 314-320 (2005) |
| 2004 |
|---|
| 5 | EE | Ricardo L. Mancera,
Per Källblad,
Nikolay P. Todorov:
Ligand-protein docking using a quantum stochastic tunneling optimization method.
Journal of Computational Chemistry 25(6): 858-864 (2004) |
| 4 | | David G. Lloyd,
Alfonso T. García-Sosa,
Ian L. Alberts,
Nikolay P. Todorov,
Ricardo L. Mancera:
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.
Journal of Computer-Aided Molecular Design 18(2): 89-100 (2004) |
| 2002 |
|---|
| 3 | EE | Martin Stahl,
Nikolay P. Todorov,
Timothy James,
Harald Mauser,
Hans-Joachim Böhm,
Philip M. Dean:
A validation study on the practical use of automated de novo design.
Journal of Computer-Aided Molecular Design 16(7): 459-478 (2002) |
| 1998 |
|---|
| 2 | EE | Nikolay P. Todorov,
Philip M. Dean:
A branch-and-bound method for optimal atom-type assignment in de novo ligand design.
Journal of Computer-Aided Molecular Design 12(4): 335-349 (1998) |
| 1997 |
|---|
| 1 | EE | Nikolay P. Todorov,
Philip M. Dean:
Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.
Journal of Computer-Aided Molecular Design 11(2): 175-192 (1997) |
