Enhancing the diversity of a corporate database using chemical database clustering and analysis. - Norah E. Shemetulskis; James B. Dunbar Jr.; Bonnie W. Dunbar; David W. Moreland; Christine Humblet (J. Comput. Aided Mol. Des., 1995)

Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets. - Norah E. Shemetulskis; David Weininger; C. John Blankley; J. J. Yang; Christine Humblet (J. Chem. Inf. Comput. Sci., 1996)

Bit-String Methods for Selective Compound Acquisition. - Nicholas Rhodes; Peter Willett 002; James B. Dunbar Jr.; Christine Humblet (J. Chem. Inf. Comput. Sci., 2000)

CLIP: Similarity Searching of 3D Databases Using Clique Detection. - Nicholas Rhodes; Peter Willett 002; Alain Calvet; James B. Dunbar Jr.; Christine Humblet (J. Chem. Inf. Comput. Sci., 2003)

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case. - Robert A. Beckman; David W. Moreland; Shirley Louise-May; Christine Humblet (J. Comput. Aided Mol. Des., 2006)

CONFIRM: connecting fragments found in receptor molecules. - David C. Thompson 002; Rajiah Aldrin Denny; Ramaswamy Nilakantan; Christine Humblet; Diane Joseph-McCarthy; Eric Feyfant (J. Comput. Aided Mol. Des., 2008)

Investigation of MM-PBSA Rescoring of Docking Poses. - David C. Thompson 002; Christine Humblet; Diane Joseph-McCarthy (J. Chem. Inf. Model., 2008)

Computation of 3D queries for ROCS based virtual screens. - Gregory J. Tawa; J. Christian Baber; Christine Humblet (J. Comput. Aided Mol. Des., 2009)

GARD: A Generally Applicable Replacement for RMSD. - J. Christian Baber; David C. Thompson 002; Jason B. Cross; Christine Humblet (J. Chem. Inf. Model., 2009)

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy. - Jason B. Cross; David C. Thompson 002; Brajesh K. Rai; J. Christian Baber; Kristi Yi Fan; Yongbo Hu; Christine Humblet (J. Chem. Inf. Model., 2009)

Biased retrieval of chemical series in receptor-based virtual screening. - Natasja Brooijmans; Jason B. Cross; Christine Humblet (J. Comput. Aided Mol. Des., 2010)

Chemical space sampling by different scoring functions and crystal structures. - Natasja Brooijmans; Christine Humblet (J. Comput. Aided Mol. Des., 2010)

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability. - Yongbo Hu; Raymond J. Unwalla; Rajiah Aldrin Denny; Jack Bikker; Li Di; Christine Humblet (J. Comput. Aided Mol. Des., 2010)

Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism. - Raymond J. Unwalla; Jason B. Cross; Sumeet Salaniwal; Adam D. Shilling; Louis Leung; John Kao; Christine Humblet (J. Comput. Aided Mol. Des., 2010)

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. - Kristi Yi Fan; Raymond J. Unwalla; Rajiah Aldrin Denny; Li Di; Edward H. Kerns; David J. Diller; Christine Humblet (J. Chem. Inf. Model., 2010)