يعرض 1 - 20 نتائج من 23,682 نتيجة بحث عن '"CONFORMATIONAL analysis"', وقت الاستعلام: 0.53s تنقيح النتائج
  1. 1
    Academic Journal
    Systematic analysis of biomolecular conformational ensembles with PENSA.

    المؤلفون: Vögele, Martin1,2,3,4 (AUTHOR) martin.voegele@schrodinger.com, Thomson, Neil J.5 (AUTHOR), Truong, Sang T.1 (AUTHOR), McAvity, Jasper1 (AUTHOR), Zachariae, Ulrich5,6 (AUTHOR), Dror, Ron O.1,2,3,4 (AUTHOR) ron.dror@stanford.edu

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-12. 12p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *MOLECULAR conformation, *NUCLEIC acids, *FEATURE selection, *FLEXIBLE packaging


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  2. 2
    Academic Journal
    Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation.

    المؤلفون: Carlson, Colton D., D'Souza, Mason, Ma, Jiarui, Mort, Alex N., Insausti, Aran, Xu, Yunjie

    المصدر: Journal of Chemical Physics; 12/28/2024, Vol. 161 Issue 24, p1-11, 11p

    مصطلحات موضوعية: FOURIER transform spectrometers, MICROWAVE spectroscopy, ISOTOPOLOGUES, TUNNEL design & construction, ISOMERS, GLYCOLS, CONFORMATIONAL analysis


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  3. 3
    Academic Journal
    NMR Coupling Constants, Karplus Equations, and Adjusted MD Statistics: Detecting Diagnostic Torsion Angles for the Solution Geometry of 6‐[α‐d‐Mannopyranosyl]‐d‐Mannopyranose (Mannobiose).

    المؤلفون: Franz, Andreas H.1 (AUTHOR) afranz@pacific.edu, Bromley, Kendall S.1 (AUTHOR), Aung, Ei T.1 (AUTHOR), Do, Stephen Q. L.1 (AUTHOR), Rosenblatt, Hana M.1 (AUTHOR), Watson, Amelia J.1 (AUTHOR)

    المصدر: Magnetic Resonance in Chemistry. Jan2025, Vol. 63 Issue 1, p3-16. 14p.

    مصطلحات موضوعية: *DIHEDRAL angles, *CONFORMATIONAL analysis, *COUPLING constants, *MOLECULAR dynamics, *LOW temperatures


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  4. 4
    Academic Journal
    A Theoretical Perspective on the Stereochemistry of Benzoanellated Aroyl‐X,N‐Ketene Acetal Derivatives.

    المؤلفون: Martins, Francisco A.1 (AUTHOR), Freitas, Matheus P.2 (AUTHOR) matheus@ufla.br

    المصدر: Journal of Physical Organic Chemistry. Dec2024, Vol. 37 Issue 12, p1-5. 5p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *STEREOCHEMISTRY, *HYDROGEN bonding, *RESONANCE, *MOIETIES (Chemistry)


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  5. 5
    Academic Journal
    Theoretical study on the conformation and aromaticity of [13] to [33] double-stranded cyclophanes encompassing three benzene subunits.

    المؤلفون: Afshari, Mahsa1 (AUTHOR), Fallah-Bagher-Shaidaei, Hossein1 (AUTHOR) h_fallah@iaurasht.ac.ir, Nikpassand, Mohammad1 (AUTHOR)

    المصدر: Structural Chemistry. Dec2024, Vol. 35 Issue 6, p2001-2013. 13p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *DENSITY functional theory, *MAGNETIC susceptibility, *AROMATICITY, *CYCLOPHANES


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  6. 6
    Academic Journal
    Synthesis of N - p -Fluorothiosemicarbazone and of Bis(N - p -Fluorophenylthiourea): Crystal Structure and Conformational Analysis of N,N ′-Bis(4-Fluorophenyl)Hydrazine-1,2-Bis(Carbothioamide).

    المؤلفون: Salhi, Sirine1,2 (AUTHOR) hedi.mrabet@fst.utm.tn, Kanzari-Mnallah, Dorra1 (AUTHOR) azaiez.benakacha@fst.utm.tn, Jourdain, Isabelle2 (AUTHOR), Knorr, Michael2 (AUTHOR) dorra.kanzari@fst.utm.tn, Strohmann, Carsten3 (AUTHOR) carsten.strohmann@tu-dortmund.de, Kirchhoff, Jan-Lukas3 (AUTHOR) jan-lukas.kirchhoff@tu-dortmund.de, Mrabet, Hédi1 (AUTHOR), Ben Akacha, Azaiez1 (AUTHOR)

    المصدر: Molbank. Dec2024, Vol. 2024 Issue 4, pM1926. 10p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *INTERMOLECULAR interactions, *MOLECULAR structure, *CRYSTAL structure, *THIOUREA

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  7. 7
    Academic Journal
    Extracting Scalar Couplings From Complex 1H NMR Spectra Using a Simple 2D J‐Resolved Sequence.

    المؤلفون: Mudgil, Manjeet1 (AUTHOR) cyz188200@iitd.ac.in, Kurur, Narayanan D.1 (AUTHOR)

    المصدر: Magnetic Resonance in Chemistry. Dec2024, Vol. 62 Issue 12, p841-849. 9p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *ANALYTICAL chemistry, *PROTONS, *SPECTROMETRY


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  8. 8
    Academic Journal
    Bifunctional Azido(thio)ureas from an O -Protected 2-Amino-2-deoxy-d-glucopyranose: Synthesis and Structural Analyses.

    المؤلفون: Sosa-Gil, Concepción1 (AUTHOR) csosagil@hotmail.com, Matamoros, Esther1,2,3 (AUTHOR) esthermc@unex.es, Cintas, Pedro1 (AUTHOR), Palacios, Juan C.1 (AUTHOR) esthermc@unex.es

    المصدر: Molecules. Dec2024, Vol. 29 Issue 23, p5687. 23p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *COMPUTATIONAL chemistry, *ATROPISOMERS, *UREA, *CARBOHYDRATES

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  9. 9
    Academic Journal
    Synthesis of Ethyl-2-Amino-1-(hetarylamido)-4-oxo-5-(2-oxo-2-phenylethylidene)-4,5-Dihydro-1H-Pyrrole-3-Carboxylates, the Study of their Antioxidant Activity, and the Ouantum Chemical Estimation of their Electronic Parameters.

    المؤلفون: Ilyina, M. G.1 (AUTHOR), Shustov, M. V.2 (AUTHOR), Igidov, N. M.2 (AUTHOR), Khamitov, E. M.1 (AUTHOR), Borisevich, S. S.1 (AUTHOR) sophiamonrel@gmail.com, Zykova, S. S.2 (AUTHOR)

    المصدر: Journal of Structural Chemistry. Dec2024, Vol. 65 Issue 12, p2359-2370. 12p.

    مصطلحات موضوعية: *ANALYTICAL chemistry, *CONFORMATIONAL analysis, *ANTIOXIDANT analysis, *CHEMICAL synthesis, *FREE radicals


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  10. 10
    Academic Journal
    Favorable Symmetric Structures of Radiopharmaceutically Important Neutral Cyclen-Based Ligands.

    المؤلفون: Kovács, Attila1 (AUTHOR) attila.kovacs@ec.europa.eu

    المصدر: Symmetry (20738994). Dec2024, Vol. 16 Issue 12, p1668. 13p.

    مصطلحات موضوعية: *GIBBS' free energy, *CONFORMATIONAL analysis, *DENSITY functional theory, *LIGANDS (Chemistry), *AQUEOUS solutions

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  11. 11
    Academic Journal
    A Chemically Powered Rotary Molecular Motor Based on Reversible Oxazepine Formation.

    المؤلفون: Han, Tian‐Jiao1 (AUTHOR), Ke, Xin‐Yan2 (AUTHOR), Wang, Min‐Can1 (AUTHOR), Ni, Shao‐Fei2 (AUTHOR) sfni@stu.edu.cn, Mei, Guang‐Jian1,3 (AUTHOR) meigj@zzu.edu.cn

    المصدر: Angewandte Chemie International Edition. Nov2024, p1. 6p. 5 Illustrations.

    مصطلحات موضوعية: *MOLECULAR motor proteins, *CONFORMATIONAL analysis, *STEPPING motors, *CHEMICAL amplification, *COVALENT bonds, *KINETIC resolution


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  12. 12
    Academic Journal
    Spatial Structure of the Casoxin D Molecule.

    المؤلفون: Agayeva, Leyla Namiq1 (AUTHOR), Akhmedov, Namiq Abdulavval1 (AUTHOR), Imanova, Gunel Talat2,3,4,5 (AUTHOR) gunel_imanova55@mail.ru

    المصدر: Materials Research Innovations. Nov2024, Vol. 28 Issue 7, p550-554. 5p.

    مصطلحات موضوعية: *AMINO acid residues, *CONFORMATIONAL analysis, *DIHEDRAL angles, *HYDROGEN bonding interactions, *PEPTIDES


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  13. 13
    Academic Journal
    Molecular Dynamics‐Based Conformational Simulation Method for Analysis of Arrival Time Distributions in Ion Mobility Mass Spectrometry.

    المؤلفون: Tashiro, Keisuke1 (AUTHOR), Ide, Yuki2 (AUTHOR), Taketsugu, Tetsuya2,3 (AUTHOR), Ohara, Kazuaki4 (AUTHOR), Yamaguchi, Kentaro4 (AUTHOR) kyamaguchi@kph.bunri-u.ac.jp, Kobayashi, Masato2,3 (AUTHOR) k-masato@sci.hokudai.ac.jp, Inokuma, Yasuhide2,5 (AUTHOR) inokuma@eng.hokudai.ac.jp

    المصدر: Advanced Theory & Simulations. Nov2024, Vol. 7 Issue 11, p1-7. 7p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *MOLECULAR conformation, *MOLECULAR dynamics, *ION mobility, *IONS, *ION mobility spectroscopy


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  14. 14
    Academic Journal
    In Silico Analysis of Conformational Dynamics and Energetic Landscapes of Putative Insulinase PF11_0189 From the Plasmodium falciparum Genome With Insulin‐Derived Peptides: Approach to Rationale Design of Insulin Peptide‐Based Inhibitors.

    المؤلفون: Mahanta, Prabhash Jyoti1 (AUTHOR), Lhouvum, Kimjolly1 (AUTHOR) kimjolly@nitap.ac.in

    المصدر: Peptide Science. Nov2024, Vol. 116 Issue 6, p1-21. 21p.

    مصطلحات موضوعية: *PEPTIDES, *CONFORMATIONAL analysis, *AMINO acid analysis, *PRINCIPAL components analysis, *PLASMODIUM falciparum


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  15. 15
    Academic Journal
    N‐Heterocycle‐Substituted Hexa‐peri‐Hexabenzocoronenes with Windmill Architectures.

    المؤلفون: Mörsel, Sven1,2 (AUTHOR), Ritterhoff, Christian L.3 (AUTHOR), Kellner, René1 (AUTHOR), Meyer, Bernd3 (AUTHOR), Hirsch, Andreas1 (AUTHOR) andreas.hirsch@fau.de

    المصدر: Chemistry - A European Journal. Oct2024, p1. 7p. 8 Illustrations.

    مصطلحات موضوعية: *MICROWAVE chemistry, *CONFORMATIONAL analysis, *POLAR effects (Chemistry), *MOLECULAR spectra, *ABSORPTION spectra


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  16. 16
    Academic Journal
    A Simple Analysis of the Second (Extra) Disulfide Bridge of V H Hs.

    المؤلفون: Martins, Carla1,2 (AUTHOR) cmartins@insa-toulouse.fr, Gardebien, Fabrice2 (AUTHOR) aravindan.nadaradjane@univ-reunion.fr, Nadaradjane, Aravindan Arun2 (AUTHOR), Diharce, Julien1 (AUTHOR) julien.diharce@u-paris.fr, de Brevern, Alexandre G.1,2 (AUTHOR) julien.diharce@u-paris.fr

    المصدر: Molecules. Oct2024, Vol. 29 Issue 20, p4863. 13p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *MOLECULAR dynamics, *PROTEIN conformation, *BIOTECHNOLOGY, *IMMUNOGLOBULINS

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  17. 17
    Academic Journal
    Short Lysine-Containing Tripeptide as Analgesic Substance: The Possible Mechanism of Ligand–Receptor Binding to the Slow Sodium Channel.

    المؤلفون: Plakhova, Vera B.1 (AUTHOR) verapl@mail.ru, Kalinina, Arina D.1 (AUTHOR), Boichenko, Nadezhda A.1 (AUTHOR), Samosvat, Dmitriy M.2 (AUTHOR), Zegrya, Georgy G.1,2 (AUTHOR), Butkevich, Irina P.1 (AUTHOR), Mikhailenko, Viktor A.1 (AUTHOR), Penniyaynen, Valentina A.1 (AUTHOR), Podzorova, Svetlana A.1 (AUTHOR), Yagudina, Roza I.3 (AUTHOR), Krylov, Boris V.1 (AUTHOR) krylovbv@yandex.ru, Rogachevskii, Ilya V.1 (AUTHOR)

    المصدر: Life (2075-1729). Oct2024, Vol. 14 Issue 10, p1337. 20p.

    مصطلحات موضوعية: *IONIC bonds, *CONFORMATIONAL analysis, *MICROPHYSIOLOGICAL systems, *PERIPHERAL nervous system, *AMINO group, *SODIUM channels, *LIGAND binding (Biochemistry)

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  18. 18
    Academic Journal
    Synthesis of and theoretical research on some azine derivatives and investigation of their antimicrobial activities.

    Alternate Title: СИНТЕЗА И ТЕОРИЈСКО ПРОУЧАВАЊЕ НЕКИХ АЗИНСКИХ ДЕРИВАТА И ИСТРАЖИВАЊЕ ЊИХОВИХ АНТИМИКРОБНИХ ДЕЈСТАВА

    المؤلفون: AYTAÇ, SERTAN1 saytac@ahievran.edu.tr

    المصدر: Journal of the Serbian Chemical Society. 2024, Vol. 89 Issue 10, p1285-1298. 14p.

    مصطلحات موضوعية: *NUCLEAR magnetic resonance, *CONFORMATIONAL analysis, *KLEBSIELLA pneumoniae, *DENSITY functional theory, *SALMONELLA typhimurium, *AZINES

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  19. 19
    Academic Journal
    Acetal Substitution Reactions: Stereoelectronic Effects, Conformational Analysis, Reactivity vs Selectivity, and Neighboring-Group Participation.

    المؤلفون: Chun, Yuge1, Luu, Khoi B.1, Woerpel, K. A.1 kwoerpel@nyu.edu

    المصدر: Synlett. Sep2024, Vol. 35 Issue 15, p1763-1787. 25p.

    مصطلحات موضوعية: *CONFORMATIONAL analysis, *IONIC structure, *X-ray crystallography, *CARBONYL compounds, *X-ray spectroscopy, *SUBSTITUTION reactions


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  20. 20
    Academic Journal
    Dynamics design of a non-natural transcription factor responding to androst-4-ene-3,17-dione.

    المؤلفون: Ming Zhao1, Mengkai Hu1, Rumeng Han1, Chao Ye1, Xiangfei Li1, Tianwen Wang1, Yan Liu1, Zhenglian Xue1, Kun Liu1 liuk@ahpu.edu.cn

    المصدر: Synthetic & Systems Biotechnology. Sep2024, Vol. 9 Issue 3, p436-444. 9p.

    مصطلحات موضوعية: *TRANSCRIPTION factors, *CONFORMATIONAL analysis, *PROTEIN engineering, *HORMONE receptors, *MICROBIAL cells

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