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Hybrid Metaheuristic Approach for Nonlocal Optimization of Molecular Systems
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Noncovalent Functional‐Group–Arene Interactions
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Binding Mechanisms in Supramolecular Complexes
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Structure and IR Spectrum of Phenylalanyl–Glycyl–Glycine Tripetide in the Gas‐Phase: IR/UV Experiments, Ab Initio Quantum Chemical Calculations, and Molecular Dynamic Simulations
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MM3 parametrization of four‐ and five‐coordinated rhenium complexes by a genetic algorithm—Which factors influence the optimization performance?
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Using quaternions to calculate RMSD
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An ant algorithm for the conformational analysis of flexible molecules
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New Tabu Search based global optimization methods outline of algorithms and study of efficiency
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Efficiency of tabu‐search‐based conformational search algorithms
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SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
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JACOB: An enterprise framework for computational chemistry
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An algorithm for the location of transition states
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A quasi-Newton algorithm for first-order saddle-point location
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Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study
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DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV–vis spectroscopy
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Particle swarm optimization
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An ant colony optimization approach to flexible protein–ligand docking
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A molecular balance to measure the strength of N–H⋯π hydrogen bonds based on the tautomeric equilibria of C-benzylphenyl substituted NH-pyrazoles
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Diastereomers of a cofacial ternaphthalene and two azaternaphthalenes. Syntheses and barriers to isomerization
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An automatic homology modeling method consisting of database searches and simulated annealing
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1,9-Disubstituted triptycenes: an excellent probe for weak molecular interactions
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Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining
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Third-Generation Hydrogen-Bonding Corrections for Semiempirical QM Methods and Force Fields
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Optimization of a Genetic Algorithm for the Functionalization of Fullerenes
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A New Tabu-Search-Based Algorithm for Solvation of Proteins
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Search for stationary points on surfaces
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Beyond the Hydrophobic Effect: Attractions Involving Heteroaromatic Rings in Aqueous Solution1
inferredcites →https://doi.org/10.1021/ja970531wopenalex-snapshot
Quantitative Analysis of Hydrophobically Induced Folding in a Minimal Model System
inferredcites →https://doi.org/10.1021/jo010537aopenalex-snapshot
Polar−π and Cation−π Stabilizing Interactions between Constrained Cofacial Aromatic Rings Favoring the More Sterically Hindered Diastereomer
inferredcites →https://doi.org/10.1021/jo960906gopenalex-snapshot
Atropisomers of Cofacial Heteroaromatic Rings with Two Positive Charges. Derivatives of 1,8-Di(3‘-pyridyl)naphthalene
inferredcites →https://doi.org/10.1021/jo961825nopenalex-snapshot
Influence of the Position of an Annular Nitrogen Atom on the Magnitude of the Rotational Barriers in Atropisomers of 1,8-Dihetarylnaphthalenes
inferredcites →https://doi.org/10.1021/jo962232fopenalex-snapshot
Electrostatic Effects on the Population of Atropisomers of Charged and Dipolar Derivatives of 1,8-Di(2‘-pyridyl)naphthalene
inferredcites →https://doi.org/10.1021/jo9801465openalex-snapshot
π-Cation and π-Dipole-Stabilizing Interactions in a Simple Model System with Cofacial Aromatic Rings
inferredcites →https://doi.org/10.1021/jp805983gopenalex-snapshot
Structures of Zinc Oxide Nanoclusters: As Found by Revolutionary Algorithm Techniques
inferredcites →https://doi.org/10.1021/jp904925jopenalex-snapshot
Putative Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 161 ≤ N ≤ 240
inferredcites →https://doi.org/10.1021/jp970984nopenalex-snapshot
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
inferredcites →https://doi.org/10.1021/jp9806258openalex-snapshot
SWARM-MD: Searching Conformational Space by Cooperative Molecular Dynamics
inferredcites →https://doi.org/10.1021/ol006096jopenalex-snapshot
Solvent-Dependent Stabilization of the E Configuration of Propargylic Secondary Amides
inferredcites →https://doi.org/10.1021/ol801286kopenalex-snapshot
A Rigid Molecular Balance for Measuring Face-to-Face Arene−Arene Interactions
inferredcites →https://doi.org/10.1038/nmat2321openalex-snapshot
Crystal structure prediction from first principles
inferredcites →https://doi.org/10.1039/b208871aopenalex-snapshot
Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar–π effects
inferredcites →https://doi.org/10.1039/b305686dopenalex-snapshot
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
inferredcites →https://doi.org/10.1039/b312450aopenalex-snapshot
Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level
inferredcites →https://doi.org/10.1039/b704781aopenalex-snapshot
Non-covalent interactions in biomacromolecules
inferredcites →https://doi.org/10.1039/b800031jopenalex-snapshot
Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations
inferredcites →https://doi.org/10.1039/b815906hopenalex-snapshot
Probing weak non-covalent interactions in solution and solid states with designed molecules
inferredcites →https://doi.org/10.1039/b822665mopenalex-snapshot
Molecular balances for quantifying non-covalent interactions
inferredcites →https://doi.org/10.1039/b916069hopenalex-snapshot
Modelling nano-clusters and nucleation
inferredcites →https://doi.org/10.1039/c0cp01065kopenalex-snapshot
Design of optimally switchable molecules by genetic algorithms
inferredcites →https://doi.org/10.1063/1.470990openalex-snapshot
Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm
inferredcites →https://doi.org/10.1073/pnas.0806129105openalex-snapshot
Orthogonal dipolar interactions between amide carbonyl groups
inferredcites →https://doi.org/10.1073/pnas.84.19.6611openalex-snapshot
Monte Carlo-minimization approach to the multiple-minima problem in protein folding.
inferredcites →https://doi.org/10.1080/00268970903446756openalex-snapshot
OGOLEM: Global cluster structure optimisation for arbitrary mixtures of flexible molecules. A multiscaling, object-oriented approach
inferredcites →https://doi.org/10.1103/revmodphys.82.1887openalex-snapshot
Long range interactions in nanoscale science
inferredcites →https://doi.org/10.1109/4235.771166openalex-snapshot
Parameter control in evolutionary algorithms
inferredcites →https://doi.org/10.1109/icec.1996.542326openalex-snapshot
Proceedings of IEEE International Conference on Evolutionary Computation
inferredcites →https://doi.org/10.1109/imcsit.2008.4747347openalex-snapshot
Ant colony system approach for protein folding
inferredcites →https://doi.org/10.1142/9789811205675_0004openalex-snapshot
Particle Swarm Optimization
inferredcites →https://doi.org/10.1186/1471-2105-6-30openalex-snapshot
An ant colony optimisation algorithm for the 2D and 3D hydrophobic polar protein folding problem
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
inferredcites →https://doi.org/10.1246/bcsj.55.159openalex-snapshot
Attractive Interactions between Carbonyls and Groups Bearing Lone-pair Electrons in Triptycene Systems
inferredcites →https://doi.org/10.1246/bcsj.60.1781openalex-snapshot
CH3···O Hydrogen Bond. Implications of Its Presence from the Substituent Effects on the Populations of Rotamers in 4-Substituted 9-Ethyl-1-methoxytriptycenes and 9-(Substituted Phenoxymethyl)-1,4-dimethyltriptycenes
inferredcites →https://doi.org/10.1246/cl.1980.213openalex-snapshot
INTRAMOLECULAR INTERACTIONS BETWEEN CARBONYL MOIETIES AND CHLORO OR METHOXYL GROUP IN TRIPTYCENE SYSTEMS
inferredcites →https://doi.org/10.1246/cl.1980.969openalex-snapshot
INTRAMOLECULAR INTERACTION BETWEEN METHOXYL AND ACYLOXYMETHYL GROUPS IN TRIPTYCENE SYSTEMS
inferredcites →https://doi.org/10.1246/cl.1986.1619openalex-snapshot
Substituent Effects on the Populations of Rotational Isomers in 9-(Aryloxymethyl)-1,4-dimethyltriptycenes. Implications for the Presence of CH3···O Hydrogen Bond
inferredcites →https://doi.org/10.1351/pac199567050683openalex-snapshot
Interaction between stacked aryl groups in 1,8-diarylnaphthalenes: Dominance of polar/π over charge-transfer effects
inferredcites →https://doi.org/10.7551/mitpress/1290.001.0001openalex-snapshot
Ant Colony Optimization
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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A tabu-search based strategy for modeling molecular aggregates and binary reactions
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Enhanced semiempirical QM methods for biomolecular interactions
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Cooperativity in bimetallic glutathione complexes
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An Innovative Approach for Molecular Simulation of Nanostructured Adsorption Isotherms via the Ant Colony Method
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Structural Motifs of Bimetallic Pt101–xAux Nanoclusters
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Naturally and synthetically linked lys48 diubiquitin: a QM/MM study
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A swarm intelligence modeling approach reveals noble gas cluster configurations confined within carbon nanotubes
inferred← citeshttps://doi.org/10.1039/d1cp04815eopenalex-snapshot
An anisotropic dressed pairwise potential model for the adsorption of noble gases on boron nitride sheets
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Particle swarm optimization in the realm of chemistry: from theory to applications
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Memetic algorithms for ligand expulsion from protein cavities
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Protein Structure Optimization with a "Lamarckian"' Ant Colony Algorithm
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Swarm intelligence unravels the confinement effects for tiny noble gas clusters within carbon nanotubes
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