Christine Humblet

According to our database1, Christine Humblet authored at least 15 papers between 1995 and 2010.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Links

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Bibliography

2010
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches.
J. Chem. Inf. Model., 2010

Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism.
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.
J. Comput. Aided Mol. Des., 2010

Chemical space sampling by different scoring functions and crystal structures.
J. Comput. Aided Mol. Des., 2010

Biased retrieval of chemical series in receptor-based virtual screening.
J. Comput. Aided Mol. Des., 2010

2009
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy.
J. Chem. Inf. Model., 2009

GARD: A Generally Applicable Replacement for RMSD.
J. Chem. Inf. Model., 2009

Computation of 3D queries for ROCS based virtual screens.
J. Comput. Aided Mol. Des., 2009

2008
Investigation of MM-PBSA Rescoring of Docking Poses.
J. Chem. Inf. Model., 2008

CONFIRM: connecting fragments found in receptor molecules.
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.
J. Comput. Aided Mol. Des., 2006

2003
CLIP: Similarity Searching of 3D Databases Using Clique Detection.
J. Chem. Inf. Comput. Sci., 2003

2000
Bit-String Methods for Selective Compound Acquisition.
J. Chem. Inf. Comput. Sci., 2000

1996
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets.
J. Chem. Inf. Comput. Sci., 1996

1995
Enhancing the diversity of a corporate database using chemical database clustering and analysis.
J. Comput. Aided Mol. Des., 1995


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