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Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Prediction of the binding energy for small molecules, peptides and proteins
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Principles of docking: An overview of search algorithms and a guide to scoring functions
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Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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A geometric approach to macromolecule-ligand interactions
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Consensus scoring for ligand/protein interactions
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High-throughput docking for lead generation
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Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs
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From atoms and bonds to three-dimensional atomic coordinates: automatic model builders
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Detailed Analysis of Scoring Functions for Virtual Screening
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Development of New Carboxylic Acid-Based MMP Inhibitors Derived from Functionalized Propargylglycines
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Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
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Design, Synthesis, and Structure−Activity Relationships of a Series of 3-[2-(1-Benzylpiperidin-4-yl)ethylamino]pyridazine Derivatives as Acetylcholinesterase Inhibitors
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Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
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On the Optimality of the Simple Bayesian Classifier under Zero-One Loss
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Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
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Molecular basis of agonism and antagonism in the oestrogen receptor
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The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies
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In silico docking and pharmacophoric analysis of 3-indolyl pyridine derivatives toward cyclooxygenase-2
inferred← citeshttps://doi.org/10.70675/2b288725z2446z48c5z833ezf53915cd324bopenalex-snapshot
Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer
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