Christine Humblet - researchr alias

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Viewing Publication 1 - 15 from 15

2010

Biased retrieval of chemical series in receptor-based virtual screeningNatasja Brooijmans, Jason B. Cross, Christine Humblet. jcamd, 24(12):1053-1062, 2010. [doi]

Chemical space sampling by different scoring functions and crystal structuresNatasja Brooijmans, Christine Humblet. jcamd, 24(5):433-447, 2010. [doi]

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR ApproachesKristi Yi Fan, Raymond J. Unwalla, Rajiah A. Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet. jcisd, 50(6):1123-1133, 2010. [doi]

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stabilityYongbo Hu, Raymond J. Unwalla, R. Aldrin Denny, Jack Bikker, Li Di, Christine Humblet. jcamd, 24(1):23-35, 2010. [doi]

Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolismRaymond J. Unwalla, Jason B. Cross, Sumeet Salaniwal, Adam D. Shilling, Louis Leung, John Kao, Christine Humblet. jcamd, 24(3):237-256, 2010. [doi]

2009

2008

CONFIRM: connecting fragments found in receptor moleculesDavid C. Thompson, R. Aldrin Denny, Ramaswamy Nilakantan, Christine Humblet, Diane Joseph-McCarthy, Eric Feyfant. jcamd, 22(10):761-772, 2008. [doi]

Investigation of MM-PBSA Rescoring of Docking PosesDavid C. Thompson, Christine Humblet, Diane Joseph-McCarthy. jcisd, 48(5):1081-1091, 2008. [doi]

2006

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test caseRobert A. Beckman, David W. Moreland, Shirley Louise-May, Christine Humblet. jcamd, 20(5):263-279, 2006. [doi]

2003

CLIP: Similarity Searching of 3D Databases Using Clique DetectionNicholas Rhodes, Peter Willett 0002, Alain Calvet, James B. Dunbar Jr., Christine Humblet. jcisd, 43(2):443-448, 2003. [doi]

2000

Bit-String Methods for Selective Compound AcquisitionNicholas Rhodes, Peter Willett 0002, James B. Dunbar Jr., Christine Humblet. jcisd, 40(2):210-214, 2000. [doi]

1996

Stigmata: An Algorithm To Determine Structural Commonalities in Diverse DatasetsNorah E. Shemetulskis, David Weininger, C. John Blankley, J. J. Yang, Christine Humblet. jcisd, 36(4):862-871, 1996. [doi]

1995

Enhancing the diversity of a corporate database using chemical database clustering and analysisNorah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland, Christine Humblet. jcamd, 9(5):407-416, 1995.

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