Nikolay P. Todorov

According to our database, Nikolay P. Todorov authored at least 9 papers between 1997 and 2007.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2007

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.

Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean

J. Chem. Inf. Model., 2007

2006

The Influence of Variations of Ligand Protonation and Tautomerism on Protein-Ligand Recognition and Binding Energy Landscape.

Nikolay P. Todorov, Philippe H. Monthoux, Ian L. Alberts

J. Chem. Inf. Model., 2006

Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase.

Stuart Firth-Clark, Nikolay P. Todorov, Ian L. Alberts, Anthony Williams, Timothy James, Philip M. Dean

J. Chem. Inf. Model., 2006

2005

Combinatorial Ligand Design Targeted at Protein Families.

Nikolay P. Todorov, Christoph L. Buenemann, Ian L. Alberts

J. Chem. Inf. Model., 2005

2004

Ligand-protein docking using a quantum stochastic tunneling optimization method.

Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov

J. Comput. Chem., 2004

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.

David G. Lloyd, Alfonso T. García-Sosa, Ian L. Alberts, Nikolay P. Todorov, Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2004

2002

A validation study on the practical use of automated de novo design.

Martin Stahl, Nikolay P. Todorov, Timothy James, Harald Mauser, Hans-Joachim Böhm, Philip M. Dean

J. Comput. Aided Mol. Des., 2002

1998

A branch-and-bound method for optimal atom-type assignment in de novo ligand design.

Nikolay P. Todorov, Philip M. Dean

J. Comput. Aided Mol. Des., 1998

1997

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.

Nikolay P. Todorov, Philip M. Dean

J. Comput. Aided Mol. Des., 1997