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)

Combinatorial Ligand Design Targeted at Protein Families. - Nikolay P. Todorov; Christoph L. Buenemann; Ian L. Alberts (J. Chem. Inf. Model., 2005)

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)

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)

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)