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An efficient algorithm for searching low-energy conformers of cyclic and acyclic molecules

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What this work says

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

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Statistical mechanics of chain molecules
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The multiple minimum problem in molecular modeling. Tree searching internal coordinate conformational space
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Molecular mechanics conformational analysis of cyclononane using the RIPS method and comparison with quantum‐mechanical calculations
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Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
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Searching for conformers of nine‐ to twelve‐ring hydrocarbons on the MM2 and MM3 energy surfaces: Stochastic search for interconversion pathways
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Implementation and use of the method of prudent ascent in conformational analysis using molecular mechanics
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Applications of the simulated annealing method to intermolecular interactions
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Efficient search for all low energy conformations of polypeptides by Monte Carlo methods
inferredcites →https://doi.org/10.1002/jcc.540120908openalex-snapshot
An unbounded systematic search of conformational space
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Conformational sampling and ensemble generation by molecular dynamics simulations: 18‐Crown‐6 as a test case
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A comparison of distance geometry and molecular dynamics simulation techniques for conformational analysis of β‐cyclodextrin
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Probing the conformational space available to inhibitors in the thermolysin active site using Monte Carlo/energy minimization techniques
inferredcites →https://doi.org/10.1002/jcc.540130307openalex-snapshot
Standard‐geometry chains fitted to X‐ray derived structures: Validation of the rigid‐geometry approximation. II. Systematic searches for short loops in proteins: Applications to bovine pancreatic ribonuclease A and human lysozyme
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Exploring the conformation space of cycloalkanes by linearized embedding
inferredcites →https://doi.org/10.1002/jcc.540130413openalex-snapshot
Comparison of ab initio, semiempirical, and molecular mechanics calculations for the conformational analysis of ring systems
inferredcites →https://doi.org/10.1002/jcc.540130505openalex-snapshot
Improvements to the distance geometry algorithm for conformational sampling of cyclic structures
inferredcites →https://doi.org/10.1002/jcc.540130507openalex-snapshot
Powerful simulated‐annealing algorithm locates global minimum of protein‐folding potentials from multiple starting conformations
inferredcites →https://doi.org/10.1002/jcc.540130604openalex-snapshot
DMC: A multifunctional hybrid dynamics/Monte Carlo simulation algorithm for the evaluation of conformational space
inferredcites →https://doi.org/10.1002/qua.560350103openalex-snapshot
Supercomputing and supercomputers for science and engineering in general and for chemistry and biosciences in particular
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Zum Redundanzproblem substituierter Ringe
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Conformational analysis of serricornin: Application of molecular mechanics calculations to stereochemical assignment of serricornin, sex pheromone of cigarette beetle (Lasioderma serricorne F.)
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Comparison of global-minimum-energy conformations of phospholipids
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Influence of fatty acid composition on the structure and stability of fatty acid complexes with vitamin E
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RAMBLE: A conformational search program
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Computer Aided Innovation of New Materials
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Current Trends in Organic Synthesis
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On the possibility of determining stereochemistry in acyclic polyhydroxylated compounds by the combined vicinal coupling constant/molecular mechanics method. A test with alditol peracetates
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A revised nomenclature for the ring conformation and a note on the conformational distance in cyclododecane
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Studies on the conformational mobility of arachidonic acid. Facile macrolactonization of 20-hydroxyarachidonic acid.
inferredcites →https://doi.org/10.1016/s0040-4039(00)91618-6openalex-snapshot
Further developments in the algorithm for generating cyclic conformers. Test with cycloheptadecane
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Stereochemistry of the hygrolidins
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A bioorganic view of the chemistry of vision: H.T.-n and B.P.-m,n mechanisms for reactions of confined, anchored polyenes
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Computer modeling of the interactions of complex molecules
inferredcites →https://doi.org/10.1021/j100381a009openalex-snapshot
Vibrational energy migration along hydrocarbon chains: a model study
inferredcites →https://doi.org/10.1021/j150660a015openalex-snapshot
Molecular mechanics of kink formation in lipid monolayers
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Investigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with GG and GTG' [G = gauche, T = trans] sequences
inferredcites →https://doi.org/10.1021/ja00022a006openalex-snapshot
Syntheses of macrocyclic enzyme models. 8. Conformational mobility and molecular recognition by the internal cage of kyuphane
inferredcites →https://doi.org/10.1021/ja00160a020openalex-snapshot
Conformations of cycloheptadecane. A comparison of methods for conformational searching
inferredcites →https://doi.org/10.1021/ja00176a070openalex-snapshot
(+)-Trienomycins A, B, and C: relative and absolute stereochemistry
inferredcites →https://doi.org/10.1021/ja00194a035openalex-snapshot
An internal-coordinate Monte Carlo method for searching conformational space
inferredcites →https://doi.org/10.1021/ja00206a046openalex-snapshot
Corner flapping: a simple and fast algorithm for exhaustive generation of ring conformations
inferredcites →https://doi.org/10.1021/jm00117a001openalex-snapshot
An analysis of current methodologies for conformational searching of complex molecules
inferredcites →https://doi.org/10.1021/jo00172a014openalex-snapshot
Application of empirical potential energy calculations to organic chemistry. Part 19. Conformational preference in 2,4-dimethoxybicyclo[3.3.1]nonan-9-one and related molecules. Analysis of vicinal NMR coupling constants in multiple rotor system by combined molecular mechanics and generalized…
inferredcites →https://doi.org/10.1021/jo00291a002openalex-snapshot
Chiral synthesis of polyketide-derived natural products. 28. Synthesis of 16-membered macrolide aglycons, carbonolide A, leuconolides, and maridonolides, via carbonolide B type compounds by virtue of completely stereoselective epoxidation and reduction based on the conformational control of…
inferredcites →https://doi.org/10.1039/p29830001843openalex-snapshot
The number of ideal rings on the diamond lattice; application to crown ethers
inferredcites →https://doi.org/10.1039/p29920000811openalex-snapshot
Combined molecular mechanics (MM2) and molecular orbital (AM1) study of periplanone-B and analogues. Evaluation of biological activity from electronic properties and geometries
inferredcites →https://doi.org/10.1051/jcp/1991882675openalex-snapshot
Computer molecular simulation of tocopherol/two phospholipid complexes
inferredcites →https://doi.org/10.1063/1.441248openalex-snapshot
Monte Carlo study of freely jointed ring polymers. I. Generation of ring polymers by dimerization method
inferredcites →https://doi.org/10.1063/1.458491openalex-snapshot
Reaction path study of conformational transitions in flexible systems: Applications to peptides
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Global scientific and engineering simulations on scalar, vector and parallel LCAP-type supercomputers
inferredcites →https://doi.org/10.1248/cpb.39.2819openalex-snapshot
Chiral Synthesis of Polyketide-Derived Natural Products. 33. Stereoselective Total Synthesis of 16-Membered Macrolide Aglycons, Leuconolides and Maridonolides. Macrocyclic Stereocontrol Based on Conformational Analysis of the 16-Membered Macrolide Ring.
inferredcites →https://doi.org/10.1351/pac198153091797openalex-snapshot
Cyclic polymers
inferredcites →https://doi.org/10.1351/pac198961030597openalex-snapshot
Application of molecular mechanics to natural product chemistry
inferredcites →https://doi.org/10.2533/chimia.1991.349openalex-snapshot
Computational Chemistry Column: A Simple Procedure for Exploring the Conformational Possibilities of Flexible Molecules
inferredcites →https://doi.org/10.3891/acta.chem.scand.27-1115openalex-snapshot
Exploratory Calculations of Medium and Large Rings. Part 1. Conformational Minima of Cycloalkanes.
inferredcites →https://doi.org/10.3891/acta.chem.scand.33b-0015openalex-snapshot
Some Tetraoxacyclotetradecanes and Tetraoxacyclohexadecanes.
inferredcites →https://doi.org/10.5860/choice.27-0916openalex-snapshot
Distance geometry and molecular conformation

What points at this work

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

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inferred← citeshttps://doi.org/10.1016/0166-1280(95)04237-zopenalex-snapshot
Computer simulation of conformational movement based on interconversion phenomena
inferred← citeshttps://doi.org/10.1016/b978-0-444-53632-7.01111-4openalex-snapshot
Chemoinformatics
inferred← citeshttps://doi.org/10.1016/b978-044452220-7/50076-9openalex-snapshot
Drug discovery using grid technology
inferred← citeshttps://doi.org/10.1016/j.aca.2003.09.028openalex-snapshot
Study of pH dependence using molecular modeling in reversed-phase liquid chromatography of 1-phenyl-3-methyl-5-pyrazolone derivatives of aldose
inferred← citeshttps://doi.org/10.1016/j.arabjc.2017.10.012openalex-snapshot
Evaluation of non-covalent interactions of chlorambucil (monomer and dimer) and its interaction with biological targets: Vibrational frequency shift, electron density topological and automated docking analysis
inferred← citeshttps://doi.org/10.1016/j.bioorg.2019.02.018openalex-snapshot
Chiral resolution and neuroprotective activities of enantiomeric dihydrobenzofuran neolignans from the fruit of Crataegus pinnatifida
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.103588openalex-snapshot
Flavan derivative enantiomers and drimane sesquiterpene lactones from the Inonotus obliquus with neuroprotective effects
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.104267openalex-snapshot
Enantiomeric 8-O-4′-type neolignans from Crataegus pinnatifida exhibit cytotoxic effect via apoptosis and autophagy in Hep3B cells
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.104498openalex-snapshot
Vibsane-type diterpenoids from Viburnum odoratissimum and their cytotoxic activities
inferred← citeshttps://doi.org/10.1016/j.bioorg.2021.104781openalex-snapshot
Quinolizidine alkaloids from Sophora alopecuroides with anti-inflammatory and anti-tumor properties
inferred← citeshttps://doi.org/10.1016/j.bioorg.2022.105692openalex-snapshot
Iridoids and sesquiterpenoids from Valeriana jatamansi and their anti-influenza virus activities
inferred← citeshttps://doi.org/10.1016/j.bioorg.2025.109292openalex-snapshot
Anti-neuroinflammatory polyprenylated acylphloroglucinols from Hypericum patulum: LC-MS/MS-guided isolation, semi-synthesis, and TLR4 inhibition
inferred← citeshttps://doi.org/10.1016/j.biopha.2019.109273openalex-snapshot
Cytotoxicity of lanostane-type triterpenoids and ergosteroids isolated from Omphalia lapidescens on MDA-MB-231 and HGC-27 cells
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.01.069openalex-snapshot
Cytotoxic 2-benzylidene-6-(nitrobenzylidene)cyclohexanones which display substantially greater toxicity for neoplasms than non-malignant cells
inferred← citeshttps://doi.org/10.1016/j.bmc.2020.115676openalex-snapshot
Design and synthesis of β-strand-fixed peptides inhibiting aggregation of amyloid β-protein
inferred← citeshttps://doi.org/10.1016/j.bmc.2021.116092openalex-snapshot
Improving the solubility of anti-proliferative thieno[2,3-b]quinoline-2-carboxamides
inferred← citeshttps://doi.org/10.1016/j.carbpol.2012.12.074openalex-snapshot
Correlations between steric/thermochemical parameters and O-/N-acylation reactions of cellulose
inferred← citeshttps://doi.org/10.1016/j.chemphys.2014.10.012openalex-snapshot
UV–UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique
inferred← citeshttps://doi.org/10.1016/j.chemphys.2019.02.002openalex-snapshot
Correlations of computational ionization energy with experimental oxidation potential and with antioxidant efficiencies in catechins
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113266openalex-snapshot
Computational study (MM and DFT) on the conformations of some aromatic crown ether rotaxane macrocycles
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113549openalex-snapshot
Benchmarking study on calculation of specific optical rotation of rigid chiral molecules in solution: 1:1 solute-solvent complex with PCM solvation model
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114705openalex-snapshot
Optical Rotation Predictions for Rigid Chiral Solute-Achiral Solvent 1:1 Complexes with the PCM Model
inferred← citeshttps://doi.org/10.1016/j.cplett.2005.11.113openalex-snapshot
A theoretical study of α- and β-d-glucopyranose conformations by the density functional theory
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.12.035openalex-snapshot
Theoretical and ATR-FTIR study of free 12-crown-4 in aqueous solution
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139510openalex-snapshot
Structures of dibenzo-24-crown-8 complex with an NH4+ ion studied by cryogenic ion mobility-mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.fitote.2016.06.014openalex-snapshot
Butenolide derivatives from the plant endophytic fungus Aspergillus terreus
inferred← citeshttps://doi.org/10.1016/j.fitote.2018.01.008openalex-snapshot
Racemic indole alkaloids from the seeds of Peganum harmala
inferred← citeshttps://doi.org/10.1016/j.fitote.2018.03.003openalex-snapshot
Phenylpropanoids from the fruit of Crataegus pinnatifida exhibit cytotoxicity on hepatic carcinoma cells through apoptosis induction
inferred← citeshttps://doi.org/10.1016/j.fitote.2019.104287openalex-snapshot
Racemic neolignans from Crataegus pinnatifida: Chiral resolution, configurational assignment, and cytotoxic activities against human hepatoma cells
inferred← citeshttps://doi.org/10.1016/j.fitote.2019.104356openalex-snapshot
Diverse metabolites from corn silk with anti-Aβ1–42 aggregation activity
inferred← citeshttps://doi.org/10.1016/j.fitote.2019.104411openalex-snapshot
Sesquiterpenoids from the herbs of Solanum lyratum and their cytotoxicity on human hepatoma cells
inferred← citeshttps://doi.org/10.1016/j.fitote.2019.104448openalex-snapshot
Isolation of macrocarpene-type sesquiterpenes from stigma maydis with neuroprotective activities
inferred← citeshttps://doi.org/10.1016/j.fitote.2021.105037openalex-snapshot
Cephalotaxine-type alkaloids with antiproliferation effects from the branches and leaves of Cephalotaxus fortunei var. alpina
inferred← citeshttps://doi.org/10.1016/j.fitote.2024.106234openalex-snapshot
Meroterpenoids with anti-triple negative breast cancer and antimicrobial activities from Arnebia euchroma
inferred← citeshttps://doi.org/10.1016/j.future.2010.12.008openalex-snapshot
Using a private desktop grid system for accelerating drug discovery
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2017.06.081openalex-snapshot
Crystallographic and theoretical studies of an inclusion complex of β-cyclodextrin with fentanyl
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2020.119625openalex-snapshot
Crystallographic evaluation of the conformation of quetiapine included in β-cyclodextrin
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2012.07.036openalex-snapshot
Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2014.05.009openalex-snapshot
Prediction of the thermal decomposition of organic peroxides by validated QSPR models
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.08.004openalex-snapshot
Conformational study of the structure of 18-thiacrown-6
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.10.016openalex-snapshot
Conformational analysis of 9-crown-3, 9-thiacrown-3 and 9-azacrown-3
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.04.023openalex-snapshot
Conformational Study of the Structure of dibenzo-18-crown-6. Comparison with 18-crown-6
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2020.113122openalex-snapshot
Activity correlation among singlet-oxygen quenching, free-radical scavenging and excited-state proton-transfer in hydroxyflavones: Substituent and solvent effects
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2023.114749openalex-snapshot
Potential energy curve for singlet-oxygen quenching reaction by vitamin E
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.114528openalex-snapshot
Exploiting isohexide scaffolds for the preparation of chiral ionic liquids tweezers
inferred← citeshttps://doi.org/10.1016/j.molstruc.2005.03.016openalex-snapshot
Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside
inferred← citeshttps://doi.org/10.1016/j.molstruc.2005.03.044openalex-snapshot
Evaluation of the odor activity of pyrazine derivatives using structural and electronic parameters derived from conformational study by molecular mechanics (MM3) and ab initio calculations
inferred← citeshttps://doi.org/10.1016/j.molstruc.2010.03.064openalex-snapshot
Theoretical and experimental study on the reactions between 3,5-di-O-p-toluoyl-d-2-deoxyribosyl chloride and alcohols
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.128602openalex-snapshot
Reassignments of the structure DOBFs directed by CASE algorithms and GIAO 13C NMR computations
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2023.106170openalex-snapshot
Exploring the impact of electron acceptor tuning in D-π-A′-π-A photosensitizers on the photovoltaic performance of acridine-based DSSCs: A DFT/TDDFT perspective
inferred← citeshttps://doi.org/10.1016/j.phytochem.2009.10.003openalex-snapshot
Bioactive jatrophane diterpenes from Euphorbia guyoniana
inferred← citeshttps://doi.org/10.1016/j.phytochem.2013.10.001openalex-snapshot
Design and synthesis of conformationally constrained analogues of cis-cinnamic acid and evaluation of their plant growth inhibitory activity
inferred← citeshttps://doi.org/10.1016/j.phytochem.2015.10.001openalex-snapshot
Cassane diterpenoids from the roots of Caesalpinia decapetala var. japonica and structure revision of caesaljapin
inferred← citeshttps://doi.org/10.1016/j.phytochem.2017.06.020openalex-snapshot
Bioactive polyketides and 8,14-seco-ergosterol from fruiting bodies of the ascomycete Daldinia childiae
inferred← citeshttps://doi.org/10.1016/j.phytochem.2017.12.015openalex-snapshot
Terpenoids from the mushroom-associated fungus Montagnula donacina
inferred← citeshttps://doi.org/10.1016/j.phytochem.2018.05.002openalex-snapshot
Lanostane triterpenoids from Tricholoma pardinum with NO production inhibitory and cytotoxic activities
inferred← citeshttps://doi.org/10.1016/j.phytochem.2018.09.007openalex-snapshot
Hydroxylated furanoditerpenoids from pupal cases produced by the bruchid beetle Sulcobruchus sauteri inside the seeds of Caesalpinia decapetala
inferred← citeshttps://doi.org/10.1016/j.phytochem.2019.01.001openalex-snapshot
Characterization of enantiomeric lignanamides from Solanum nigrum L. and their neuroprotective effects against MPP+-induced SH-SY5Y cells injury
inferred← citeshttps://doi.org/10.1016/j.phytochem.2019.05.005openalex-snapshot
Phenylpropanoid derivatives from the fruit of Crataegus pinnatifida Bunge and their distinctive effects on human hepatoma cells
inferred← citeshttps://doi.org/10.1016/j.phytochem.2020.112348openalex-snapshot
Sesquiterpenoids from the roots of Daphne genkwa Siebold et Zucc. With potential anti-inflammatory activity
inferred← citeshttps://doi.org/10.1016/j.phytochem.2020.112373openalex-snapshot
Bioactive ent-isopimarane diterpenoids from Euphorbia neriifolia
inferred← citeshttps://doi.org/10.1016/j.phytochem.2022.113358openalex-snapshot
Target isolation of cytotoxic diterpenoid esters and orthoesters from Daphne tangutica maxim based on molecular networking
inferred← citeshttps://doi.org/10.1016/j.phytochem.2022.113468openalex-snapshot
Targeted isolation of diterpenoids and sesquiterpenoids from Daphne gemmata E. Pritz. ex Diels using molecular networking together with network annotation propagation and MS2LDA
inferred← citeshttps://doi.org/10.1016/j.phytochem.2022.113562openalex-snapshot
HSQC-based small molecule accurate recognition technology discovery of diverse cytotoxic sesquiterpenoids from Elephantopus tomentosus L. and structural revision of molephantins A and B
inferred← citeshttps://doi.org/10.1016/j.phytochem.2023.113614openalex-snapshot
Rapid screening of diarylpentanoids from Daphne bholua
inferred← citeshttps://doi.org/10.1016/j.phytochem.2023.113791openalex-snapshot
Lanostane triterpenoids with anti-proliferative and anti-inflammatory activities from medicinal mushroom Ganoderma lingzhi
inferred← citeshttps://doi.org/10.1016/j.phytochem.2023.113892openalex-snapshot
Structurally diverse terpenoids from Elephantopus scaber L. and their acetylcholinesterase inhibitory activities
inferred← citeshttps://doi.org/10.1016/j.phytochem.2024.114015openalex-snapshot
Eight structurally diverse components with anti-acetylcholinesterase activity from Daphne bholua
inferred← citeshttps://doi.org/10.1016/j.phytochem.2025.114456openalex-snapshot
Structurally diverse abietane diterpenoids from the whole plants of Salvia przewalskii Maxim. With anti-inflammatory activity
inferred← citeshttps://doi.org/10.1016/j.phytochem.2025.114520openalex-snapshot
28,29-Di-nor-triterpenoid and indole diketopiperazine alkaloids from the endophytic fungus Aspergillus versicolor
inferred← citeshttps://doi.org/10.1016/j.phytochem.2025.114630openalex-snapshot
Bergamotane-family sesquiterpenes from histone deacetylase inhibitor modified cultures of the fungicolous fungus Montagnula donacina (Niessl) Wanas., E.B.G. Jones & K.D. Hyde
inferred← citeshttps://doi.org/10.1016/j.phytochem.2025.114686openalex-snapshot
Highly oxidized germacrane-type sesquiterpenoid dimers from Elephantopus tomentosus L.: Structural characterization, DFT calculation and anti-hepatoma potential
inferred← citeshttps://doi.org/10.1016/j.phytochem.2025.114691openalex-snapshot
Diterpenoids from the brown alga Dictyota dichotoma with nematicidal activity against the plant parasitic nematode Aphelenchoides besseyi
inferred← citeshttps://doi.org/10.1016/j.phytochem.2026.114894openalex-snapshot
Discovery of previously undescribed specialized metabolites from the endophytic fungus Penicillium griseofulvum
inferred← citeshttps://doi.org/10.1016/j.phytochem.2026.114991openalex-snapshot
Structurally diverse sesquiterpenoids from Curcuma longa and their anti-inflammatory activities
inferred← citeshttps://doi.org/10.1016/j.phytol.2012.08.005openalex-snapshot
Determination of the absolute configuration and evaluation of the in vitro antitumor activity of dilospirane B
inferred← citeshttps://doi.org/10.1016/j.phytol.2019.02.007openalex-snapshot
Cytotoxic ergosteroids from the fungus Stereum hirsutum
inferred← citeshttps://doi.org/10.1016/j.phytol.2022.11.008openalex-snapshot
Phenylpropanoids and a diarylpentanol from Stellera chamaejasme with acetylcholinesterase inhibitory activity
inferred← citeshttps://doi.org/10.1016/j.phytol.2023.09.002openalex-snapshot
Two new eudesmane sesquiterpenoids with neuroprotective activity from Pogostemon cablin
inferred← citeshttps://doi.org/10.1016/j.poly.2015.10.006openalex-snapshot
Potentiometric, spectrophotometric and AM1d studies of the equilibria between silver(I) ion and diaza-crown ethers with anthraquinone moiety in various solvents
inferred← citeshttps://doi.org/10.1016/j.rechem.2025.102311openalex-snapshot
A diatrizoic acid derivative for N-acylation of amino acids
inferred← citeshttps://doi.org/10.1016/j.saa.2014.04.170openalex-snapshot
Conformational and vibrational analysis of 18-crown-6–alkali metal cation complexes
inferred← citeshttps://doi.org/10.1016/j.saa.2017.04.069openalex-snapshot
Vibrational analysis of dibenzo-18-crown-6. Effect of dispersion correction on the calculated vibrational spectra
inferred← citeshttps://doi.org/10.1016/j.saa.2024.123851openalex-snapshot
Differentiation of solvatomorphs of active pharmaceutical ingredients (API) by solid-state vibrational circular dichroism (VCD)
inferred← citeshttps://doi.org/10.1016/j.saa.2024.123939openalex-snapshot
VCD spectra of chiral naphthalene-1-carboxamides in the solid-state
inferred← citeshttps://doi.org/10.1016/j.steroids.2020.108771openalex-snapshot
Deoxycholic acid as a molecular scaffold for tyrosyl-DNA phosphodiesterase 1 inhibition: A synthesis, structure–activity relationship and molecular modeling study
inferred← citeshttps://doi.org/10.1016/j.tet.2004.03.061openalex-snapshot
Computer-assisted design and lactonization of model seco-acid derivatives of lankanolide
inferred← citeshttps://doi.org/10.1016/j.tet.2004.05.020openalex-snapshot
Substituent effect on the diastereoselectivity in the chelation-controlled radical reactions of γ-(p-substituted-benzyloxy)-α-methylene esters with alkyl iodides
inferred← citeshttps://doi.org/10.1016/j.tet.2004.07.064openalex-snapshot
Experimental and theoretical approaches into the C- and D-ring problems of sterol biosynthesis. Hydride shift versus C–C bond migration due to cation conformational changes controlled by the counteranion
inferred← citeshttps://doi.org/10.1016/j.tet.2007.04.096openalex-snapshot
Investigation of macrocyclization sites for the synthesis of dendroamide A—an approach from a conformational search
inferred← citeshttps://doi.org/10.1016/j.tet.2008.09.073openalex-snapshot
Preparation of seven- and eight-membered rings by carbon–carbon bond formation induced by samarium diiodide: 7-endo- and 8-endo-trig type cyclization to bicyclo[5.3.0]decanolone, bicyclo[5.4.0]undecanolone, and bicyclo[6.4.0]dodecanolone
inferred← citeshttps://doi.org/10.1016/j.tet.2009.02.076openalex-snapshot
Esters of 2,5-multisubstituted-1,3-dioxane-2-carboxylic acid: their conformational analysis and selective hydrolysis
inferred← citeshttps://doi.org/10.1016/j.tet.2010.04.079openalex-snapshot
New eremophilanes from Farfugium japonicum
inferred← citeshttps://doi.org/10.1016/j.tet.2013.06.043openalex-snapshot
Reticulatins A and B and hyrtioreticulin F from the marine sponge Hyrtios reticulatus
inferred← citeshttps://doi.org/10.1016/j.tet.2013.06.104openalex-snapshot
Four new compounds from Ligularia virgaurea: isolation of eremophilane and noreremophilane sesquiterpenoids and the absolute configuration of 2α-hydroxyeremophil-11-en-9-one by CD spectrum and DFT calculation
inferred← citeshttps://doi.org/10.1016/j.tet.2014.06.030openalex-snapshot
Structure and cytotoxic evaluation of five 12-oxygenated eremophilanes from Ligularia lingiana
inferred← citeshttps://doi.org/10.1016/j.tet.2015.07.009openalex-snapshot
Niphateolide A: isolation from the marine sponge Niphates olemda and determination of its absolute configuration by an ECD analysis
inferred← citeshttps://doi.org/10.1016/j.tet.2018.04.033openalex-snapshot
Coumarins with an unprecedented tetracyclic skeleton and coumarin dimers from chemically engineered extracts of a marine-derived fungus
inferred← citeshttps://doi.org/10.1016/j.tet.2018.11.064openalex-snapshot
Alkaloids from the roots of Stemona tuberosa and their anti-tobacco mosaic virus activities
inferred← citeshttps://doi.org/10.1016/j.tetasy.2016.03.011openalex-snapshot
Reassignment of the absolute configuration of plakinidone from the sponge consortium Plakortis halichondrioides–Xestospongia deweerdtae using a combination of synthesis and a chiroptical approach
inferred← citeshttps://doi.org/10.1016/j.tetlet.2004.03.188openalex-snapshot
Highly diastereoselective 7-endo radical cyclization of ethyl α-methylene-γ-(bromomethyl)dimethylsiloxycarboxylates
inferred← citeshttps://doi.org/10.1016/j.tetlet.2006.01.062openalex-snapshot
Exiguolide, a new macrolide from the marine sponge Geodia exigua
inferred← citeshttps://doi.org/10.1016/j.tetlet.2006.12.117openalex-snapshot
Conformational analysis and selective hydrolysis of 2,5-disubstituted-1,3-dioxane-2-carboxylic acid esters
inferred← citeshttps://doi.org/10.1016/j.tetlet.2007.09.138openalex-snapshot
The first examples of cyclizations of a glycal with enamines leading to oxa-aza bicyclononene scaffolds
inferred← citeshttps://doi.org/10.1016/j.tetlet.2009.08.110openalex-snapshot
Synthesis of novel 2H,5H-dihydrofuran-3-yl ketones via ISNC reactions
inferred← citeshttps://doi.org/10.1016/j.tetlet.2010.05.140openalex-snapshot
A new highly sterically demanding silyl (TEDAMS) group. Synthesis by multiple substitution of tris(diphenylmethyl)silane with diarylcarbenium ions
inferred← citeshttps://doi.org/10.1016/j.tetlet.2011.02.003openalex-snapshot
Salvileucalin C, a novel rearranged neoclerodane diterpene from Salvia leucantha
inferred← citeshttps://doi.org/10.1016/j.tetlet.2015.10.051openalex-snapshot
Alstoscholarisines F and G, two unusual monoterpenoid indole alkaloids from the leaves of Alstonia scholaris
inferred← citeshttps://doi.org/10.1016/j.tetlet.2022.153943openalex-snapshot
Ochrocephalamines E and F, two new alkaloids from Oxytropis ochrocephala bung
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.07.034openalex-snapshot
A computational study of vinylpyranoanthocyanin-phenolic pigments (portisins)
inferred← citeshttps://doi.org/10.1016/s0009-2614(98)00698-8openalex-snapshot
A frontier mode-following method for mapping saddle points of conformational interconversion in flexible molecules starting from the energy minimum
inferred← citeshttps://doi.org/10.1016/s0022-2860(01)00884-5openalex-snapshot
CONFLEX/MM3 search/minimization study of the conformations of the macrolide antibiotic tylosin
inferred← citeshttps://doi.org/10.1016/s0022-2860(97)00233-0openalex-snapshot
Molecular mechanics conformational analysis of tylosin
inferred← citeshttps://doi.org/10.1016/s0031-9422(02)00219-4openalex-snapshot
Terpenoids from Tripterygium doianum (Celastraceae)
inferred← citeshttps://doi.org/10.1016/s0031-9422(03)00422-9openalex-snapshot
Two lignan dimers from bamboo stems (Phyllostachys edulis)
inferred← citeshttps://doi.org/10.1016/s0040-4020(03)00421-6openalex-snapshot
Remote substituent effect favoring the formation of syn-adducts in the chelation controlled radical reactions of γ-benzyloxy-α-methylenecarboxylic acid esters
inferred← citeshttps://doi.org/10.1016/s0040-4039(01)00736-5openalex-snapshot
Sc(OTf)3-catalyzed diastereoselective synthesis of 3,4-dihydro-4-amino-2H-1-benzopyrans
inferred← citeshttps://doi.org/10.1016/s0040-4039(01)01257-6openalex-snapshot
LiBF4-catalyzed formation of fused pyrano- and furanobenzopyrans
inferred← citeshttps://doi.org/10.1016/s0040-4039(02)00816-xopenalex-snapshot
Sc(OTf)3-catalyzed synthesis of pyrano[3,2-b]-1-benzopyrans from d-glycals
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