Christine Humblet

发表

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability

Li Di, Yongbo Hu, Raymond J. Unwalla, 2010, J. Comput. Aided Mol. Des..

Computation of 3D queries for ROCS based virtual screens

Christine Humblet, Gregory J. Tawa, J. Christian Baber, 2009, J. Comput. Aided Mol. Des..

Bit-String Methods for Selective Compound Acquisition

Peter Willett, James B. Dunbar, Christine Humblet, 2000, J. Chem. Inf. Comput. Sci..

Investigation of MM-PBSA Rescoring of Docking Poses

Christine Humblet, Diane Joseph-McCarthy, David C. Thompson, 2008, J. Chem. Inf. Model..

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

Yongbo Hu, Brajesh K. Rai, Christine Humblet, 2009, J. Chem. Inf. Model..

Lead optimization via high-throughput molecular docking.

Christine Humblet, Diane Joseph-McCarthy, J Christian Baber, 2007, Current opinion in drug discovery & development.

Outcome of a workshop on applications of protein models in biomedical research.

Roland L Dunbrack, Roland L. Dunbrack, Andrej Sali, 2009, Structure.

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

Robert A. Beckman, Christine Humblet, David W. Moreland, 2006, J. Comput. Aided Mol. Des..

Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets

David Weininger, C. John Blankley, Christine Humblet, 1996, J. Chem. Inf. Comput. Sci..

Three‐dimensional computer modeling as an aid to drug design

Garland R. Marshall, Christine Humblet, G. Marshall, 1981 .

Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism

Louis Leung, Raymond J. Unwalla, Christine Humblet, 2010, J. Comput. Aided Mol. Des..

Chemical Space Sampling in Virtual Screening by Different Crystal Structures

Christine Humblet, Natasja Brooijmans, C. Humblet, 2010, Chemical biology & drug design.

Biased retrieval of chemical series in receptor-based virtual screening

Christine Humblet, Jason B. Cross, Natasja Brooijmans, 2010, J. Comput. Aided Mol. Des..

Peter Willett, James B. Dunbar, Christine Humblet, 2003, J. Chem. Inf. Comput. Sci..

A structural informatics approach to mine kinase knowledge bases.

Ramaswamy Nilakantan, Gary Walker, David Diller, 2010, Drug discovery today.

Enhancing the diversity of a corporate database using chemical database clustering and analysis

James B. Dunbar, Christine Humblet, David W. Moreland, 1995, J. Comput. Aided Mol. Des..

Chemical space sampling by different scoring functions and crystal structures

Christine Humblet, Natasja Brooijmans, C. Humblet, 2010, J. Comput. Aided Mol. Des..

CONFIRM: connecting fragments found in receptor molecules

Ramaswamy Nilakantan, R. Aldrin Denny, Christine Humblet, 2008, J. Comput. Aided Mol. Des..

GARD: A Generally Applicable Replacement for RMSD

Christine Humblet, J. Christian Baber, David C. Thompson, 2009, J. Chem. Inf. Model..

Chapter 29. 3D Database Searching and Docking Strategles

James B. Dunbar, Christine Humblet, C. Humblet, 1993 .

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches

Edward H. Kerns, Li Di, Rajiah A. Denny, 2010, J. Chem. Inf. Model..

A Residue-Resolved Bayesian Approach to Quantitative Interpretation of Hydrogen-Deuterium Exchange from Mass Spectrometry: Application to Characterizing Protein-Ligand Interactions.

Andrej Sali, Christine Humblet, Alfonso Espada, 2017, The journal of physical chemistry. B.

A Protein Relational Database and Protein Family Knowledge Bases to Facilitate Structure‐Based Design Analyses

Ramaswamy Nilakantan, Christine Humblet, Eric Feyfant, 2010, Chemical biology & drug design.

X-RAY STRUCTURE OF GELATINASE A CATALYTIC DOMAIN COMPLEXED WITH A HYDROXAMATE INHIBITOR

Tom L. Blundell, Christine Humblet, Daniel F. Ortwine, 1999 .

Chapter 28. Pharmacophore Identification and Receptor Mapping

Garland R. Marshall, Christine Humblet, G. Marshall, 1980 .

Docking ligands in the receptor cavity: What have we learned?

Christine Humblet, E. A. Lunney, C. Humblet, 1993 .