Christine Humblet

15 papers Journal 15

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