Found: 15
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TAAM refinement on high‐resolution experimental and simulated 3D ED/MicroED data for organic molecules.
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- Acta Crystallographica Section C: Structural Chemistry, 2024, v. 80, n. 7, p. 264, doi. 10.1107/S2053229624005357
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- Article
Differences and similarities among hypoxanthinium nitrate hydrate structures.
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- Acta Crystallographica Section C: Structural Chemistry, 2019, v. 75, n. 8, p. 1036, doi. 10.1107/S2053229619008702
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- Article
Molecular tapes in the structure of isoguaninium chloride.
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- Acta Crystallographica Section C: Structural Chemistry, 2018, v. 74, n. 1, p. 108, doi. 10.1107/S2053229617017685
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- Article
New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2022, v. 78, n. 6, p. 823, doi. 10.1107/S2052520622008800
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- Article
TAAM: a reliable and user friendly tool for hydrogen‐atom location using routine X‐ray diffraction data.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 3, p. 296, doi. 10.1107/S2052520620002917
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- Article
Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model.
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- Biomolecules (2218-273X), 2023, v. 13, n. 10, p. 1486, doi. 10.3390/biom13101486
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- Article
Intermolecular Interactions in Ionic Crystals of Nucleobase Chlorides—Combining Topological Analysis of Electron Densities with Energies of Electrostatic Interactions.
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- Crystals (2073-4352), 2019, v. 9, n. 12, p. 668, doi. 10.3390/cryst9120668
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- Article
Refinement of organic crystal structures with multipolar electron scattering factors.
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- Acta Crystallographica. Section A, Foundations & Advances, 2020, v. 76, n. 1, p. 92, doi. 10.1107/S2053273319015304
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- Article
Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies.
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- Acta Crystallographica. Section A, Foundations & Advances, 2019, v. 75, n. 2, p. 398, doi. 10.1107/S2053273319000482
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- Article
Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank.
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- Acta Crystallographica: Section D, Structural Biology, 2022, v. 78, n. 8, p. 1010, doi. 10.1107/S2059798322005836
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- Article
Aspherical atom refinements on X‐ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade‐off.
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- Journal of Applied Crystallography, 2023, v. 56, n. 1, p. 116, doi. 10.1107/S1600576722010883
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- Article
Refinements on electron diffraction data of β‐glycine in MoPro: a quest for an improved structure model.
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- Journal of Applied Crystallography, 2021, v. 54, n. 4, p. 1234, doi. 10.1107/S160057672100580X
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- Article
<italic>DiSCaMB</italic>: a software library for aspherical atom model X‐ray scattering factor calculations with CPUs and GPUs.
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- Journal of Applied Crystallography, 2018, v. 51, n. 1, p. 193, doi. 10.1107/S1600576717015825
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- Article
Frequency and hydrogen bonding of nucleobase homopairs in small molecule crystals.
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- Nucleic Acids Research, 2020, v. 48, n. 15, p. 8302, doi. 10.1093/nar/gkaa629
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- Article
Combining Molecular Dynamic Information and an Aspherical-Atom Data Bank in the Evaluation of the Electrostatic Interaction Energy in Multimeric Protein-Ligand Complex: A Case Study for HIV-1 Protease.
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- Molecules, 2021, v. 26, n. 13, p. 3872, doi. 10.3390/molecules26133872
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- Article