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ORCIDChristine Humblet
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2010 – 2019
- 2010
[j15]Yongbo Hu, Raymond J. Unwalla, Rajiah 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): 23-35 (2010)- [j14]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): 237-256 (2010) - [j13]Natasja Brooijmans, Christine Humblet:
Chemical space sampling by different scoring functions and crystal structures. J. Comput. Aided Mol. Des. 24(5): 433-447 (2010) - [j12]Natasja Brooijmans, Jason B. Cross, Christine Humblet:
Biased retrieval of chemical series in receptor-based virtual screening. J. Comput. Aided Mol. Des. 24(12): 1053-1062 (2010) - [j11]Kristi Yi Fan, Raymond J. Unwalla, Rajiah Aldrin 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): 1123-1133 (2010)
2000 – 2009
- 2009
- [j10]Gregory J. Tawa, J. Christian Baber, Christine Humblet:
Computation of 3D queries for ROCS based virtual screens. J. Comput. Aided Mol. Des. 23(12): 853-868 (2009) - [j9]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): 1455-1474 (2009) - [j8]J. Christian Baber, David C. Thompson, Jason B. Cross, Christine Humblet:
GARD: A Generally Applicable Replacement for RMSD. J. Chem. Inf. Model. 49(8): 1889-1900 (2009) - 2008
- [j7]David C. Thompson, Rajiah 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): 761-772 (2008) - [j6]David C. Thompson, Christine Humblet, Diane Joseph-McCarthy:
Investigation of MM-PBSA Rescoring of Docking Poses. J. Chem. Inf. Model. 48(5): 1081-1091 (2008) - 2006
- [j5]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): 263-279 (2006) - 2003
- [j4]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): 443-448 (2003) - 2000
- [j3]Nicholas Rhodes, Peter Willett, James B. Dunbar Jr., Christine Humblet:
Bit-String Methods for Selective Compound Acquisition. J. Chem. Inf. Comput. Sci. 40(2): 210-214 (2000)
1990 – 1999
- 1996
- [j2]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): 862-871 (1996) - 1995
- [j1]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): 407-416 (1995)
Coauthor Index
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