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Copyright © 2008 American Chemical Society
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12
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Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening
Global Bayesian Models for the Prioritization of Antitubercular Agents
Parameterization and Conformational Sampling Effects in Pharmacophore Multiplet Searching
MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations
Structure of the Complex between Phosphorylated Substrates and the SCF β-TrCP Ubiquitin Ligase Receptor: A Combined NMR, Molecular Modeling, and Docking Approach
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
Predicting the Accuracy of Ligand Overlay Methods with Random Forest Models
Eliciting Possible Reaction Equations and Metabolic Pathways Involving Orphan Metabolites
Similarity Searching Using Fingerprints of Molecular Fragments Involved in Protein−Ligand Interactions
Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates
SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
Building a BioChemformatics Database
Kinase-Targeted Library Design through the Application of the PharmPrint Methodology
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