Works matching DE "COORDINATION compounds"
Results: 3009
Structural determinants of integrin β-subunit specificity for latent TGF-β.
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- Nature Structural & Molecular Biology, 2014, v. 21, n. 12, p. 1091, doi. 10.1038/nsmb.2905
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Dimensionally Extending from 1D MX–Chain to Ladder and Nanotube Systems: Structural and Electronic Properties.
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- Chemistry - A European Journal, 2024, v. 30, n. 70, p. 1, doi. 10.1002/chem.202402583
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Janus Reactivity of Crownphyrinoids: Alkali‐ vs. Transition Metal‐Mediated Transformations of Crown Ether‐Porphyrin Hybrids.
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- Chemistry - A European Journal, 2024, v. 30, n. 62, p. 1, doi. 10.1002/chem.202402932
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Cover Feature: Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds (Chem. Eur. J. 43/2024).
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- Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202402506
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Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds.
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- Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202400977
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Reactive Magnesium Nanoparticles to Perform Reactions in Suspension.
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- Chemistry - A European Journal, 2024, v. 30, n. 35, p. 1, doi. 10.1002/chem.202400418
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Multifunctional Amino Acid Derivative Coordination Compounds: Novel Contrast Agent and Luminescence Materials.
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- Chemistry - A European Journal, 2024, v. 30, n. 29, p. 1, doi. 10.1002/chem.202304146
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Endowing Metal‐Organic Coordination Materials with Chiroptical Activity by a Chiral Anion Strategy.
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- Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202400685
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Ferroelectricity and Related Properties of Nitratecadmate(II) Hybrid with Metal‐Vacancy.
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- Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202303758
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Interrelations between Linkage Isomers of an Efficient Square‐planar Nickel(II) Nitrite Photoswitch in the Solid State.
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- Chemistry - A European Journal, 2023, v. 29, n. 72, p. 1, doi. 10.1002/chem.202302629
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A Bifunctional Coordination‐Chain‐Based Hydrogen‐Bonded Framework for Quantitative Enantioselective Sensing.
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- Chemistry - A European Journal, 2023, v. 29, n. 57, p. 1, doi. 10.1002/chem.202301892
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NHC‐Stabilised Parent Tripentelyltrielanes.
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- Chemistry - A European Journal, 2023, v. 29, n. 24, p. 1, doi. 10.1002/chem.202300340
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Von Gold‐Clustern zu Gold‐Kolloiden.
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- Chemie in unserer Zeit, 2024, v. 58, n. 6, p. 368, doi. 10.1002/ciuz.202200026
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Cobalt(II)‐Hexaazatriphenylene Hexacarbonitrile Coordination Compounds Based Cathode Materials with High Capacity and Long Cycle Stability.
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- Advanced Functional Materials, 2022, v. 32, n. 16, p. 1, doi. 10.1002/adfm.202111043
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Ligand and Anion Co‐Leaching Induced Complete Reconstruction of Polyoxomolybdate‐Organic Complex Oxygen‐Evolving Pre‐Catalysts.
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- Advanced Functional Materials, 2021, v. 31, n. 31, p. 1, doi. 10.1002/adfm.202101792
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Graphitic Nanocarbon with Engineered Defects for High‐Performance Potassium‐Ion Battery Anodes.
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- Advanced Functional Materials, 2019, v. 29, n. 35, p. N.PAG, doi. 10.1002/adfm.201903641
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Prussian White Hierarchical Nanotubes with Surface‐Controlled Charge Storage for Sodium‐Ion Batteries.
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- Advanced Functional Materials, 2019, v. 29, n. 15, p. N.PAG, doi. 10.1002/adfm.201806405
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Fe, Cu‐Coordinated ZIF‐Derived Carbon Framework for Efficient Oxygen Reduction Reaction and Zinc–Air Batteries.
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- Advanced Functional Materials, 2018, v. 28, n. 39, p. N.PAG, doi. 10.1002/adfm.201802596
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Investigation on structure and properties of cobalt(II)/polyesterurethane metallopolymer films.
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- Journal of Polymer Research, 2012, v. 19, n. 12, p. 1, doi. 10.1007/s10965-012-0018-z
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Synthesis of novel amphiphilic graft copolymers composed of poly(ethylene oxide) as backbone and polylactide as side chains.
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- Journal of Polymer Research, 2011, v. 18, n. 3, p. 385, doi. 10.1007/s10965-010-9428-y
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Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 4, p. 511, doi. 10.1007/s10822-018-0105-2
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Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 2, p. 165, doi. 10.1007/s10822-014-9813-4
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Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 5, p. 565, doi. 10.1007/s10822-014-9742-2
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Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 5, p. 491, doi. 10.1007/s10822-014-9728-0
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The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 5, p. 509, doi. 10.1007/s10822-014-9740-4
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Defining scaffold geometries for interacting with proteins: geometrical classification of secondary structure linking regions.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 11, p. 917, doi. 10.1007/s10822-010-9384-y
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Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 11, p. 907, doi. 10.1007/s10822-010-9383-z
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Insights into the binding mode and mechanism of action of some atypical retinoids as ligands of the small heterodimer partner (SHP).
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 11, p. 943, doi. 10.1007/s10822-010-9386-9
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In silico analysis of the histaprodifen induced activation pathway of the guinea-pig histamine H<sub>1</sub>-receptor.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 759, doi. 10.1007/s10822-010-9372-2
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ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 789, doi. 10.1007/s10822-010-9374-0
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Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 527, doi. 10.1007/s10822-009-9281-4
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Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 571, doi. 10.1007/s10822-009-9286-z
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Second-generation de novo design: a view from a medicinal chemist perspective.
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- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 593, doi. 10.1007/s10822-009-9291-2
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Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 11, p. 799, doi. 10.1007/s10822-008-9215-6
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LASSO—ligand activity by surface similarity order: a new tool for ligand based virtual screening.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 479, doi. 10.1007/s10822-007-9164-5
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High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 703, doi. 10.1007/s10822-006-9066-y
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Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4.
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 7, p. 395, doi. 10.1007/s10822-007-9119-x
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Improved estimation of ligand–macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods.
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 1-3, p. 131, doi. 10.1007/s10822-007-9104-4
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Outliers in SAR and QSAR: Is unusual binding mode a possible source of outliers?
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 1-3, p. 63, doi. 10.1007/s10822-007-9106-2
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A marriage made in torsional space: using GALAHAD models to drive pharmacophore multiplet searches.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 763, doi. 10.1007/s10822-006-9070-2
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Incorporating partial matches within multiobjective pharmacophore identification.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 735, doi. 10.1007/s10822-006-9086-7
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Discovering New Classes of Brugia malayi Asparaginyl-tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 3, p. 159, doi. 10.1007/s10822-006-9043-5
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In-silico Screening using Flexible Ligand Binding Pockets: A Molecular Dynamics-based Approach.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 4, p. 213, doi. 10.1007/s10822-005-4788-9
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Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 7, p. 525, doi. 10.1007/s10822-005-9005-3
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Unsupervised guided docking of covalently bound ligands.
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- Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 10, p. 635, doi. 10.1007/s10822-004-5291-4
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Interactions of peptide mimics of hyaluronic acid with the receptor for hyaluronan mediated motility (RHAMM).
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- Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 10, p. 597, doi. 10.1007/s10822-004-5433-8
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Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling.
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- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 8, p. 525, doi. 10.1023/B:JCAM.0000004604.87558.02
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Whole-body hyperthermia in combination with platinum-containing drugs in patients with recurrent ovarian cancer.
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- International Journal of Clinical Oncology, 2004, v. 9, n. 2, p. 85, doi. 10.1007/s10147-003-0369-x
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A Phylogenetic and Structural Analysis of Truncated Hemoglobins.
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- Journal of Molecular Evolution, 2006, v. 62, n. 2, p. 196, doi. 10.1007/s00239-005-0077-4
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Synthesis and photophysical properties of bis(phenylpyridine) iridium(III) dicyanide complexes.
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- Materials Research Innovations, 2019, v. 23, n. 3, p. 135, doi. 10.1080/14328917.2017.1397940
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