Christine Humblet

Eli Lilly (United States) — United States

Computer Science · Physical Sciences

39h-index8.3kcitations108works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(32), Chemical Synthesis and Analysis(21), Receptor Mechanisms and Signaling(20), Analytical Chemistry and Chromatography(13), Protein Structure and Dynamics(10)

Publications108 total

Idea2Data: Toward a New Paradigm for Drug Discovery
ACS Medicinal Chemistry Letters·2019· 41 citedOpen Access
Reconstruction of 3D structures of MET antibodies from electron microscopy 2D class averages
PLoS ONE·2017· 13 citedOpen Access
A Residue-Resolved Bayesian Approach to Quantitative Interpretation of Hydrogen–Deuterium Exchange from Mass Spectrometry: Application to Characterizing Protein–Ligand Interactions
The Journal of Physical Chemistry B·2016· 66 cited
Biased retrieval of chemical series in receptor-based virtual screening
Journal of Computer-Aided Molecular Design·2010· 3 cited
Chemical Space Sampling in Virtual Screening by Different Crystal Structures
Chemical Biology & Drug Design·2010· 5 citedOpen Access
A Protein Relational Database and Protein Family Knowledge Bases to Facilitate Structure‐Based Design Analyses
Chemical Biology & Drug Design·2010· 8 citedOpen Access
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches
Journal of Chemical Information and Modeling·2010· 65 cited
Chemical space sampling by different scoring functions and crystal structures
Journal of Computer-Aided Molecular Design·2010· 18 cited
Computational alanine scanning with linear scaling semiempirical quantum mechanical methods
Proteins Structure Function and Bioinformatics·2010· 19 citedOpen Access
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism
Journal of Computer-Aided Molecular Design·2010· 38 cited
An enriched structural kinase database to enable kinome‐wide structure‐based analyses and drug discovery
Protein Science·2010· 54 citedOpen Access
A structural informatics approach to mine kinase knowledge bases
Drug Discovery Today·2009· 8 cited
Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability
Journal of Computer-Aided Molecular Design·2009· 48 cited
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
Journal of Medicinal Chemistry·2009· 4.2k cited
Computation of 3D queries for ROCS based virtual screens
Journal of Computer-Aided Molecular Design·2009· 30 cited
Modeling G protein‐coupled receptors for structure‐based drug discovery using low‐frequency normal modes for refinement of homology models: Application to H3 antagonists
Proteins Structure Function and Bioinformatics·2009· 26 cited
GARD: A Generally Applicable Replacement for RMSD
Journal of Chemical Information and Modeling·2009· 59 cited
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
Journal of Chemical Information and Modeling·2009· 450 cited
Outcome of a Workshop on Applications of Protein Models in Biomedical Research
Structure·2009· 153 citedOpen Access
CONFIRM: connecting fragments found in receptor molecules
Journal of Computer-Aided Molecular Design·2008· 38 cited
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Frequent Co-authors

Elizabeth A. Lunney(10), Tomi K. Sawyer(7), Jack Bikker(5), David C. Thompson(5), A.G. Pavlovsky(5), Aurash Shahripour(5), James B. Dunbar(4), John R. Rubin(4), Daniel F. Ortwine(4), R. Aldrin Denny(4), Kimberly S. Para(4), James H. Fergus(4), James S. Marks(4), Mark S. Plummer(4), Jason B. Cross(3), Junaid Baber(3), Diane Joseph‐McCarthy(3), V. Dhanaraj(3), Susanne Trumpp-Kallmeyer(3), Juswinder Singh(3)