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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2008/volume_48
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2008/volume_48/issue_4/m/print http://hub.abes.fr/acs/periodical/jcisd8/2008/volume_48/issue_4/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	4
Rights Holder	American Chemical Society
is Is Part Of of	Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies A Probabilistic Approach to Classifying Metabolic Stability Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors Mechanisms for the Deamination Reaction of Cytosine with H2O/OH− and 2H2O/OH−: A Computational Study Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques Enhancement of Ordinal CoMFA by Ridge Logistic Partial Least Squares Generation of New Synthetic Scaffolds Using Framework Libraries Selected and Refined via Medicinal Chemist Synthetic Expertise Structure-Based Discovery of Novel Non-nucleosidic DNA Alkyltransferase Inhibitors: Virtual Screening and in Vitro and in Vivo Activities AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data Effect of Cobratoxin Binding on the Normal Mode Vibration within Acetylcholine Binding Protein Virtual Screening System for Finding Structurally Diverse Hits by Active Learning A Comparison of Field-Based Similarity Searching Methods: CatShape, FBSS, and ROCS Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility Exploiting Structure-Activity Relationships in Docking Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds Hydra: A Self Regenerating High Performance Computing Grid for Drug Discovery Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis Structure-Based Virtual Screening with Supervised Consensus Scoring: Evaluation of Pose Prediction and Enrichment Factors Impact of Benchmark Data Set Topology on the Validation of Virtual Screening Methods: Exploration and Quantification by Spatial Statistics Distributed Chemical Computing Using ChemStar: An Open Source Java Remote Method Invocation Architecture Applied to Large Scale Molecular Data from PubChem Quantifying the Relationships among Drug Classes

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