Christine Humblet

According to our database, Christine Humblet authored at least 15 papers between 1995 and 2010.

Collaborative distances:

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

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

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

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

Chemical space sampling by different scoring functions and crystal structures.

Natasja Brooijmans, Christine Humblet

J. Comput. Aided Mol. Des., 2010

Biased retrieval of chemical series in receptor-based virtual screening.

Natasja Brooijmans, Jason B. Cross, Christine Humblet

J. Comput. Aided Mol. Des., 2010

2009

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy.

Jason B. Cross, David C. Thompson, Brajesh K. Rai, J. Christian Baber, Kristi Yi Fan, Yongbo Hu, Christine Humblet

J. Chem. Inf. Model., 2009

GARD: A Generally Applicable Replacement for RMSD.

J. Christian Baber, David C. Thompson, Jason B. Cross, Christine Humblet

J. Chem. Inf. Model., 2009

Computation of 3D queries for ROCS based virtual screens.

Gregory J. Tawa, J. Christian Baber, Christine Humblet

J. Comput. Aided Mol. Des., 2009

2008

Investigation of MM-PBSA Rescoring of Docking Poses.

David C. Thompson, Christine Humblet, Diane Joseph-McCarthy

J. Chem. Inf. Model., 2008

CONFIRM: connecting fragments found in receptor molecules.

David C. Thompson, Rajiah Aldrin Denny, Ramaswamy Nilakantan, Christine Humblet, Diane Joseph-McCarthy, Eric Feyfant

J. Comput. Aided Mol. Des., 2008

2006

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

2003

CLIP: Similarity Searching of 3D Databases Using Clique Detection.

Nicholas Rhodes, Peter Willett, Alain Calvet, James B. Dunbar Jr., Christine Humblet

J. Chem. Inf. Comput. Sci., 2003

2000

Bit-String Methods for Selective Compound Acquisition.

Nicholas Rhodes, Peter Willett, James B. Dunbar Jr., Christine Humblet

J. Chem. Inf. Comput. Sci., 2000

1996

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

1995

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