Christine Humblet

Publication Activity (10 Years)

Years Active: 1995-2010
Publications (10 Years): 0

Publications

Yongbo Hu, Raymond J. Unwalla, R. Aldrin Denny, Jack Bikker, Li Di, Christine Humblet
Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability. J. Comput. Aided Mol. Des. 24 (1) (2010)
Natasja Brooijmans, Jason B. Cross, Christine Humblet
Biased retrieval of chemical series in receptor-based virtual screening. J. Comput. Aided Mol. Des. 24 (12) (2010)
Raymond J. Unwalla, Jason B. Cross, Sumeet Salaniwal, Adam D. Shilling, Louis Leung, John Kao, Christine Humblet
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism. J. Comput. Aided Mol. Des. 24 (3) (2010)
Natasja Brooijmans, Christine Humblet
Chemical space sampling by different scoring functions and crystal structures. J. Comput. Aided Mol. Des. 24 (5) (2010)
Kristi Yi Fan, Raymond J. Unwalla, Rajiah A. Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. J. Chem. Inf. Model. 50 (6) (2010)
J. Christian Baber, David C. Thompson, Jason B. Cross, Christine Humblet
GARD: A Generally Applicable Replacement for RMSD. J. Chem. Inf. Model. 49 (8) (2009)
Jason B. Cross, David C. Thompson, Brajesh K. Rai, J. Christian Baber, Kristi Yi Fan, Yongbo Hu, Christine Humblet
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy. J. Chem. Inf. Model. 49 (6) (2009)
Gregory J. Tawa, J. Christian Baber, Christine Humblet
Computation of 3D queries for ROCS based virtual screens. J. Comput. Aided Mol. Des. 23 (12) (2009)
David C. Thompson, R. Aldrin Denny, Ramaswamy Nilakantan, Christine Humblet, Diane Joseph-McCarthy, Eric Feyfant
CONFIRM: connecting fragments found in receptor molecules. J. Comput. Aided Mol. Des. 22 (10) (2008)
David C. Thompson, Christine Humblet, Diane Joseph-McCarthy
Investigation of MM-PBSA Rescoring of Docking Poses. J. Chem. Inf. Model. 48 (5) (2008)
Robert A. Beckman, David W. Moreland, Shirley Louise-May, Christine Humblet
RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case. J. Comput. Aided Mol. Des. 20 (5) (2006)
Nicholas Rhodes, Peter Willett, Alain Calvet, James B. Dunbar Jr., Christine Humblet
CLIP: Similarity Searching of 3D Databases Using Clique Detection. J. Chem. Inf. Comput. Sci. 43 (2) (2003)
Nicholas Rhodes, Peter Willett, James B. Dunbar Jr., Christine Humblet
Bit-String Methods for Selective Compound Acquisition. J. Chem. Inf. Comput. Sci. 40 (2) (2000)
Norah E. Shemetulskis, David Weininger, C. John Blankley, J. J. Yang, Christine Humblet
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets. J. Chem. Inf. Comput. Sci. 36 (4) (1996)
Norah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland, Christine Humblet
Enhancing the diversity of a corporate database using chemical database clustering and analysis. J. Comput. Aided Mol. Des. 9 (5) (1995)