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Genetic Algorithms in Conformational Analysis

https://doi.org/10.1021/ci970433u
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.540120908openalex-snapshot
An unbounded systematic search of conformational space
inferredcites →https://doi.org/10.1002/jcc.540141115openalex-snapshot
Analysis of the genetic algorithm method of molecular conformation determination
inferredcites →https://doi.org/10.1002/jcc.540150604openalex-snapshot
Application of genetic algorithms in molecular modeling
inferredcites →https://doi.org/10.1002/jcc.540161112openalex-snapshot
Energy minimization of peptide analogues using genetic algorithms
inferredcites →https://doi.org/10.1021/ci9704219openalex-snapshot
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?
inferredcites →https://doi.org/10.1021/ja00160a021openalex-snapshot
Empirical and ab initio estimates of the stabilities of fluorine-containing cations
inferredcites →https://doi.org/10.1021/ja00467a002openalex-snapshot
Geometries of first triplet states of linear polyenes

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Small‐molecule Geometry Optimization and Conformational Search
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Conformational Analysis and Searching
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Computer Processing of Chemical Structure Information
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Homolytic Bond Dissociation Enthalpies of C–C and C–H Bonds in Highly Crowded Alkanes
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Conformational searching using a population‐based incremental learning algorithm
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Computational assessment of synthetic procedures
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Evolutionary Algorithms in Drug Design
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Copper(I) complexes with phosphines P(p-OCH3-Ph)2CH2OH and P(p-OCH3-Ph)2CH2SarGly. Synthesis, multimodal DNA interactions, and prooxidative and in vitro antiproliferative activity
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A molecular modelling study of the effects of pivalate ligand substitutions on the magnetic properties of chromium-wheels host complexes
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10-Helical conformations in oxetane β-amino acid hexamers
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The stereochemistry of glabrescol
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Computer-Assisted Conformational Analysis of Small Molecules Using VEGA ZZ, a Freely Available Software Program, as an Introduction to Molecular Modeling
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00243openalex-snapshot
First-Principles Molecular Structure Search with a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00648openalex-snapshot
Efficient Amino Acid Conformer Search with Bayesian Optimization
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Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures
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Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation
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What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
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Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm
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Exploration of the Accessible Chemical Space of Acyclic Alkanes
inferred← citeshttps://doi.org/10.1021/ci900332aopenalex-snapshot
Protein−Ligand Docking Using Mutually Orthogonal Latin Squares (MOLSDOCK)
inferred← citeshttps://doi.org/10.1021/ci990303gopenalex-snapshot
Conformational Coverage by a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ja0039886openalex-snapshot
Probing Molecular Conformations with Electron Momentum Spectroscopy: The Case of n-Butane
inferred← citeshttps://doi.org/10.1021/jo061276dopenalex-snapshot
Di-(R,R)-1-[10-(1-hydroxy-2,2,2-trifluoroethyl)-9-anthryl]-2,2,2-trifluoroethyl Muconate: A Highly Chiral Cavity for Enantiodiscrimination by NMR
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Comprehensive Conformational Studies of Five Tripeptides and a Deduced Method for Efficient Determinations of Peptide Structures
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Importance Sampling as an Efficient Strategy for the Conformational Analysis of Flexible Molecules
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Rotational Spectra of Seven Conformational Isomers of 1-Hexene
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Quantum algebraic–combinatoric study of the conformational properties of $$n$$ ‐alkanes. I
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Quantum algebraic–combinatoric study of the conformational properties of n-alkanes. II
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Computational ligand-based rational design: role of conformational sampling and force fields in model development
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Integration of theory, simulation, artificial intelligence and virtual reality: a four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy
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Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights
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Fast exploration of potential energy surfaces with a joint venture of quantum chemistry, evolutionary algorithms and unsupervised learning
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Probing molecular conformations in momentum space: The case of n-pentane
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Rotational spectra of four of the five conformers of 1-pentene
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Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm
inferred← citeshttps://doi.org/10.1080/00032719908542831openalex-snapshot
Genetic Algorithms in Analytical Chemistry
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Going clean: structure and dynamics of peptides in the gas phase and paths to solvation
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A mono-objective evolutionary algorithm for Protein Structure Prediction in structural and energetic contexts
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Implementação de um framework de computação evolutiva multi-objetivo para predição Ab Initio da estrutura terciária de proteínas
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3D Structure Generation and Conformational Searching
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3D Structure Generation and Conformational Searching
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Quantitative structure–activity relationship: promising advances in drug discovery platforms
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Presenting GAELLE: An Online Genetic Algorithm for Electronic Landscapes Exploration of Reactive Conformers
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Multi-Objective Evolutionary Algorithm NSGA-II for Protein Structure Prediction using Structural and Energetic Properties
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Efficient Cysteine Conformer Search with Bayesian Optimization
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Quantum Chemistry and Chemometrics Applied to Conformational Analysis
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