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RESEARCH PAPER · Journal of Computational Chemistry · 2011

Quantitative symmetry and chirality—A fast computational algorithm for large structures: Proteins, macromolecules, nanotubes, and unit cells

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42 direct citing works

Quantitative symmetry and chirality—A fast computational algorithm for large structures: Proteins, macromolecules, nanotubes, and unit cellsOriginalValine sulfonamidecinnamic acid asymmetric crystal reactions12Continuous symmetry measures of irreducible representations: application to molecular orbitals12Symmetry‐Enthalpy Correlations in Diels–Alder Reactions21Continuous symmetry analyses: Cnv and Dn measures of molecules, complexes, and proteins16A study on the stability, chirality, and theoretical spectra of the heterofullerenes C69X (X = N, P, As, B, Si, Ge)10Algorithms for computer detection of symmetry elements in molecular systems13Continuous symmetry measures for complex symmetry group16The near‐symmetry of proteins23Positive chirality measures from chiroptical pseudoscalars: applications to carbon-containing molecular systems4Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state2Continuous Symmetry Measures: A New Tool in Quantum Chemistry60Improved algorithms for symmetry analysis: structure preserving permutations34Molecular Dynamics Simulations of Intrinsically Disordered Proteins and Biomolecular Assemblies0Analytical symmetry detection in protein assemblies. I. Cyclic symmetries25Analytical symmetry detection in protein assemblies. II. Dihedral and cubic symmetries22Effects of Temperature on the Shape and Symmetry of Molecules and Solids7Improved algorithms for quantifying the near symmetry of proteins: complete side chains analysis12Novel computational developments for protein structure analysis and prediction0Chiral Dualism as an Instrument of Hierarchical Structure Formation in Molecular Biology32Side chain flexibility and the symmetry of protein homodimers8De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network13Chiral Dualism as a Unifying Principle in Molecular Biophysics4The determination of point groups from imprecise molecular geometries4Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties85Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups125The SARS-CoV-2 spike protein structure: a symmetry tale on distortion trail3Continuous symmetry and chirality measures: approximate algorithms for large molecular structures12Graph‐theoretical chirality measure and chirality–property relations for chemical structures with multiscale mirror asymmetries13CSM Software: Continuous Symmetry and Chirality Measures for Quantitative Structural Analysis24Structural chirality measurements and computation of handedness in periodic solids9Chirality-Induced Spin Selectivity in Hybrid Organic-Inorganic Perovskite Semiconductors36Chirality Quantification for High‐Performance Nanophotonic Biosensors12Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals4

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  1. Valine sulfonamidecinnamic acid asymmetric crystal reactions

    Chemical Communications · 2011-11-25

    Kraig A. Wheeler, Steven H. Malehorn, Annie E. Egan

    Read original paper ↗ ·
  2. Continuous symmetry measures of irreducible representations: application to molecular orbitals

    Physical Chemistry Chemical Physics · 2012-01-01

    Pere Alemany, David Casanova, Santiago Álvarez

    Read original paper ↗ ·
  3. Symmetry‐Enthalpy Correlations in Diels–Alder Reactions

    Chemistry - A European Journal · 2012-07-10

    Inbal Tuvi‐Arad, David Avnir

    Read original paper ↗ ·
  4. Continuous symmetry analyses: Cnv and Dn measures of molecules, complexes, and proteins

    Journal of Computational Chemistry · 2012-08-29

    Mark B. Pinsky, Amir Zait, Maayan Bonjack, David Avnir

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  5. A study on the stability, chirality, and theoretical spectra of the heterofullerenes C69X (X = N, P, As, B, Si, Ge)

    Tetrahedron Asymmetry · 2013-09-01

    Sławomir Ostrowski, Michał H. Jamróz, Ján Cz. Dobrowolski

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  6. Algorithms for computer detection of symmetry elements in molecular systems

    Journal of Computational Chemistry · 2013-11-25

    Otávio Beruski, Luciano N. Vidal

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  7. Continuous symmetry measures for complex symmetry group

    Journal of Computational Chemistry · 2014-02-06

    Chaim Dryzun

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  8. The near‐symmetry of proteins

    Proteins Structure Function and Bioinformatics · 2014-10-30

    Maayan Bonjack, David Avnir

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  9. Positive chirality measures from chiroptical pseudoscalars: applications to carbon-containing molecular systems

    Functional materials · 2015-10-01

    STC ", A.V. Luzanov

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  10. Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state

    CrystEngComm · 2017-01-01

    Giovanna Brancatelli, Carlo Nicosia, T. Barboza, Laure Guy, Jean‐Pierre Dutasta, Rita De Zorzi, Nicola Demitri, Enrico Dalcanale, Silvano Geremia, Roberta Pinalli

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  11. Continuous Symmetry Measures: A New Tool in Quantum Chemistry

    Reviews in computational chemistry · 2017-04-03

    Pere Alemany, David Casanova, Santiago Álvarez, Chaim Dryzun, David Avnir

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  12. Improved algorithms for symmetry analysis: structure preserving permutations

    Journal of Mathematical Chemistry · 2017-08-16

    Gil Alon, Inbal Tuvi‐Arad

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  13. Molecular Dynamics Simulations of Intrinsically Disordered Proteins and Biomolecular Assemblies

    Unknown journal · 2017-11-16

    Charles E. McAnany

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  14. Analytical symmetry detection in protein assemblies. I. Cyclic symmetries

    Journal of Structural Biology · 2018-04-26

    Guillaume Pagès, Elvira Kinzina, Sergei Grudinin

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  15. Analytical symmetry detection in protein assemblies. II. Dihedral and cubic symmetries

    Journal of Structural Biology · 2018-06-15

    Guillaume Pagès, Sergei Grudinin

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  16. Effects of Temperature on the Shape and Symmetry of Molecules and Solids

    Chemistry - A European Journal · 2018-07-19

    Abel Carreras, Efrem Bernuz, Xavier Marugan, Miquel Llunell, Pere Alemany

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  17. Improved algorithms for quantifying the near symmetry of proteins: complete side chains analysis

    Journal of Cheminformatics · 2019-06-06

    Inbal Tuvi‐Arad, Gil Alon

    Read original paper ↗ ·
  18. Novel computational developments for protein structure analysis and prediction

    Unknown journal · 2019-09-12

    Guillaume Pagès

    Read original paper ↗ ·
  19. Chiral Dualism as an Instrument of Hierarchical Structure Formation in Molecular Biology

    Symmetry · 2020-04-08

    V. A. Tverdislov, Ekaterina V. Malyshko

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  20. Side chain flexibility and the symmetry of protein homodimers

    PLoS ONE · 2020-07-24

    Yaffa Shalit, Inbal Tuvi‐Arad

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  21. De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network

    Journal of Computational Chemistry · 2020-10-26

    Motomichi Tashiro, Yutaka Imamura, Michio Katouda

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  22. Chiral Dualism as a Unifying Principle in Molecular Biophysics

    Biophysica · 2021-02-08

    Ekaterina V. Malyshko, Ekaterina V. Semenova, Olga E. Bagrova, Alina R. Murtazina, V. A. Tverdislov

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  23. The determination of point groups from imprecise molecular geometries

    Journal of Mathematical Chemistry · 2021-11-15

    Peter J. Knowles

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  24. Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties

    Nature Chemistry · 2021-11-25

    Hung V.‐T. Nguyen, Yivan Jiang, Somesh Mohapatra, Wencong Wang, Jonathan C. Barnes, Nathan J. Oldenhuis, Kathleen K. Chen, Simon Axelrod, Zhihao Huang, Qixian Chen, Matthew R. Golder, Katherine Young, Dylan Suvlu, Yizhi Shen, Adam P. Willard, Michael J. A. Hore, Rafael Gómez‐Bombarelli, Jeremiah A. Johnson

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  25. Chirality in the Solid State: Chiral Crystal Structures in Chiral and Achiral Space Groups

    Materials · 2022-08-23

    Gerhard H. Fecher, Jürgen Kübler, Claudia Felser

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  26. The SARS-CoV-2 spike protein structure: a symmetry tale on distortion trail

    Physical Chemistry Chemical Physics · 2023-01-01

    Inbal Tuvi‐Arad, Yaffa Shalit

    Read original paper ↗ ·
  27. Continuous symmetry and chirality measures: approximate algorithms for large molecular structures

    Journal of Cheminformatics · 2023-11-09

    Gil Alon, Yuval Ben-Haim, Inbal Tuvi‐Arad

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  28. Graph‐theoretical chirality measure and chirality–property relations for chemical structures with multiscale mirror asymmetries

    Chirality · 2024-06-01

    Minjeong Cha, Jessica Ma, Ji‐Young Kim, Emine Sumeyra Turali Emre, Nicholas A. Kotov

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  29. CSM Software: Continuous Symmetry and Chirality Measures for Quantitative Structural Analysis

    Journal of Chemical Information and Modeling · 2024-07-02

    Inbal Tuvi‐Arad, Yaffa Shalit, Gil Alon

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  30. Structural chirality measurements and computation of handedness in periodic solids

    Physical review. B./Physical review. B · 2024-11-26

    Fernando Gómez‐Ortiz, Mauro Fava, Emma E. McCabe, Aldo Humberto Romero, Éric Bousquet

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  31. Chirality-Induced Spin Selectivity in Hybrid Organic-Inorganic Perovskite Semiconductors

    Annual Review of Physical Chemistry · 2025-02-14

    Yifan Dong, Matthew P. Hautzinger, Md Azimul Haque, Matthew C. Beard

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  32. Chirality Quantification for High‐Performance Nanophotonic Biosensors

    Small Methods · 2025-04-08

    Myonghoo Hwang, Hyeongoo Jung, Ji‐Young Kim

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  33. Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals

    APL Computational Physics · 2025-10-28

    Cong Yang, S. U. Khan, Dali Sun, Jùn Líu

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