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GAPE: An Improved Genetic Algorithm for Pharmacophore Elucidation
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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A fast and efficient method to generate biologically relevant conformations
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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
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A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
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Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques
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GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D
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Molecular recognition using a binary genetic search algorithm
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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
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Virtual screening—an overview
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms
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The Effects of Biasing Torsional Mutations in a Conformational GA
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FLAME: A Program to Flexibly Align Molecules
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PharmID: Pharmacophore Identification Using Gibbs Sampling
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Geometric Accuracy of Three-Dimensional Molecular Overlays
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An Algorithm for Finding the Smallest Set of Smallest Rings
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SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
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Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters
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Elucidating Molecular Overlays from Pairwise Alignments Using a Genetic Algorithm
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Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations
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Identification of Common Functional Configurations Among Molecules
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A Gaussian Description of Molecular Shape
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Corner flapping: a simple and fast algorithm for exhaustive generation of ring conformations
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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Flexible Alignment of Small Molecules
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Ligand-Based Structural Hypotheses for Virtual Screening
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A Gaussian Description of Molecular Shape
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Computational methods for the structural alignment of molecules
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A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP
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Analogous inhibitors of elastase do not always bind analogously
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Characterisation of the solution conformation of a cyclic RGD peptide analogue by NMR spectroscopy allied with a genetic algorithm approach and constrained molecular dynamics
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Ligand-Based Drug Design Methodologies in Drug Discovery Process: An Overview
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Genetic algorithms in search, optimization, and machine learning
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
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Pharmacophore Modeling: Methods and Applications
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Application of electron conformational–genetic algorithm approach to 1,4-dihydropyridines as calcium channel antagonists: pharmacophore identification and bioactivity prediction
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Development and validation of an improved algorithm for overlaying flexible molecules
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MolAlign: an algorithm for aligning multiple small molecules
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Lessons and Successes in the Use of Molecular Fields
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Conservation and Relevance of Pharmacophore Point Types
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Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching
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GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
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An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs
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Assessment of a Cambridge Structural Database-Driven Overlay Program
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Pharmacophore Models in Drug Design
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Strategies of multi-objective optimization in drug discovery and development
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COMPUTATIONAL APPROACHES RELATED TO DRUG DISPOSITION
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Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
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Prediction of Pharmacokinetic Parameters Using a Genetic Algorithm Combined with an Artificial Neural Network for a Series of Alkaloid Drugs
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