| Das S, Kokardekar A, Breneman CM
Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 18.
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| Tresadern G, Agrafiotis DK
Conformational Sampling with Stochastic Proximity Embedding and Self-Organizing Superimposition: Establishing Reasonable Parameters for Their Practical Use. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 17.
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| Sciabola S, Stanton RV, Mills JE, et al.
High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 17.
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| Oyarzabal J, Pastor J, Howe TJ
Optimizing the Performance of In Silico ADMET General Models According to Local Requirements: MARS Approach. Solubility Estimations As Case Study. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 17.
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| Misra A, Schmalz TG, Klein DJ
Clar Theory for Radical Benzenoids. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 16.
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| Michielan L, Stephanie F, Terfloth L, et al.
Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 12.
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| Gardiner EJ, Cosgrove DA, Taylor R, et al.
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 12.
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| Santos R, Hritz J, Oostenbrink C
Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 9.
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| Brodney MD, Brosius AD, Gregory T, et al.
Project-Focused Activity and Knowledge Tracker: A Unified Data Analysis, Collaboration, and Workflow Tool for Medicinal Chemistry Project Teams. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 9.
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| Clark M, Wiseman JS
Fragment-Based Prediction of the Clinical Occurrence of Long QT Syndrome and Torsade de Pointes. [JOURNAL ARTICLE]
J Chem Inf Model 2009 Nov 6.
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