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ORCIDNikolay P. Todorov
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Journal Articles
- 2007
[j9]Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean:
QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity. J. Chem. Inf. Model. 47(3): 1007-1020 (2007)- 2006
- [j8]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. J. Chem. Inf. Model. 46(3): 1134-1142 (2006) - [j7]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. J. Chem. Inf. Model. 46(3): 1168-1173 (2006) - 2005
- [j6]Nikolay P. Todorov, Christoph L. Buenemann, Ian L. Alberts:
Combinatorial Ligand Design Targeted at Protein Families. J. Chem. Inf. Model. 45(2): 314-320 (2005) - 2004
- [j5]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. J. Comput. Aided Mol. Des. 18(2): 89-100 (2004) - [j4]Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov:
Ligand-protein docking using a quantum stochastic tunneling optimization method. J. Comput. Chem. 25(6): 858-864 (2004) - 2002
- [j3]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. J. Comput. Aided Mol. Des. 16(7): 459-478 (2002) - 1998
- [j2]Nikolay P. Todorov, Philip M. Dean:
A branch-and-bound method for optimal atom-type assignment in de novo ligand design. J. Comput. Aided Mol. Des. 12(4): 335-349 (1998) - 1997
- [j1]Nikolay P. Todorov, Philip M. Dean:
Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design. J. Comput. Aided Mol. Des. 11(2): 175-192 (1997)
Coauthor Index
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