Nikolay P. Todorov

Publication Activity (10 Years)

Years Active: 1997-2007
Publications (10 Years): 0

Publications

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) (2007)
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) (2006)
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) (2006)
Nikolay P. Todorov, Christoph L. Buenemann, Ian L. Alberts
Combinatorial Ligand Design Targeted at Protein Families. J. Chem. Inf. Model. 45 (2) (2005)
Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov
Ligand-protein docking using a quantum stochastic tunneling optimization method. J. Comput. Chem. 25 (6) (2004)
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) (2004)
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) (2002)
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) (1998)
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) (1997)