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PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Conformational analysis of a dinucleotide photodimer with the aid of the genetic algorithm
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Application of a genetic algorithm to feature selection under full validation conditions and to outlier detection
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A critical comparison of search algorithms applied to the optimization of protein side‐chain conformations
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CONCEPTS: New dynamic algorithm for de novo drug suggestion
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Analysis of the genetic algorithm method of molecular conformation determination
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Conformational searching methods for small molecules. II. Genetic algorithm approach
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A ring‐bracing approach to computer‐assisted ligand design
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Application of genetic algorithms in molecular modeling
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Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms
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De novo protein design using pairwise potentials and a genetic algorithm
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Functionality maps of binding sites: A multiple copy simultaneous search method
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Computer design of bioactive molecules: A method for receptor‐based de novo ligand design
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HOOK: A program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site
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Do intelligent configuration search techniques outperform random search for large molecules?
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Genetic Algorithms for Protein Folding Simulations
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Folding the Main Chain of Small Proteins with the Genetic Algorithm
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The Use of Composite Crystal-field Environments in Molecular Recognition and the de Novo Design of Protein Ligands
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Trends in QSAR and Molecular Modelling 92
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Recent advances in de novo molecular design
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PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
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The computer program LUDI: A new method for the de novo design of enzyme inhibitors
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SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands
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LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads
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SPROUT: A program for structure generation
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Automated molecular design: A new fragment-joining algorithm
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GenStar: A method for de novo drug design
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The application of the genetic algorithm to the minimization of potential energy functions
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[29] Computer-assisted rational drug design
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A genetic algorithm based method for docking flexible molecules
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Computer-aided drug design: getting the best results
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CFIT: a genetic algorithm for survival of the fitting
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Understanding and using genetic algorithms Part 1. Concepts, properties and context
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Automated site-directed drug design using molecular lattices
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Molecular recognition using a binary genetic search algorithm
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Computer-Aided Drug Design
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Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation.
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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service.
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Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
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SPROUT: Recent developments in the de novo design of molecules
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Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
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Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models
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PRO_LIGAND: An Approach to de Novo Molecular Design. 2. Design of Novel Molecules from Molecular Field Analysis (MFA) Models and Pharmacophores
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GroupBuild: a fragment-based method for de novo drug design
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Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase
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Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation
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The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses
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The Frustrations of a Quark Hunter
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Hitch-hiker's guide to genetic algorithms
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Potential of genetic algorithms in protein folding and protein engineering simulations
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Protein structure comparisons using a combination of a genetic algorithm, dynamic programming and least-squares minimization
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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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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Genetic and Evolutionary Algorithms
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Current Issues in De Novo Molecular Design
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Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities
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New Techniques and Future Directions
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Docking and Scoring for Structure‐based Drug Design
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De NovoDesign: From Models to Molecules
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Chemistry‐driven Hit‐to‐lead Optimization Guided by Structure‐based Approaches
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Enabling future drug discovery by de novo design
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Computational Approaches to Developing Short Cyclic Peptide Modulators of Protein–Protein Interactions
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Computational Opportunities and Challenges in Finding Cyclic Peptide Modulators of Protein–Protein Interactions
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PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
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PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides
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PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides
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Evolutionary algorithms in computer-aided molecular design
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