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His108Arg Transthyretin Amyloidosis—Shedding Light on a Distinctively Malignant Variant.
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- Journal of Clinical Medicine, 2024, v. 13, n. 24, p. 7857, doi. 10.3390/jcm13247857
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- Article
Corrigendum: Quantitative Distinction between Noble Metals Located in Mesopores from those on the External Surface.
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- Chemistry - A European Journal, 2022, v. 28, n. 19, p. 1, doi. 10.1002/chem.202200729
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- Article
Frontispiece: Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 1, doi. 10.1002/chem.202186862
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- Article
Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 16853, doi. 10.1002/chem.202102752
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- Article
Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17012, doi. 10.1002/chem.202102076
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- Article
Asymmetric Carboxycyanation of Aldehydes by Cooperative AlF/Onium Salt Catalysts: from Cyanoformate to KCN as Cyanide Source.
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- Chemistry - A European Journal, 2019, v. 25, n. 6, p. 1515, doi. 10.1002/chem.201804388
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- Article
Kooperative Lewis‐Säure‐1,2,3‐Triazolium‐Aryloxid‐Katalyse: Addition von Pyrazolonen an Nitroolefine als Zugang zu Diaminoamiden.
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- Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202307317
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- Article
Ein praktikabler und robuster zwitterionischer kooperativer Lewis‐Säure‐/Acetat‐/Benzimidazolium‐Katalysator für direkte 1,4‐Additionen.
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- Angewandte Chemie, 2023, v. 135, n. 13, p. 1, doi. 10.1002/ange.202217519
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- Article
Highly Active Cooperative Lewis Acid—Ammonium Salt Catalyst for the Enantioselective Hydroboration of Ketones.
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- Angewandte Chemie, 2021, v. 133, n. 10, p. 5604, doi. 10.1002/ange.202012796
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- Article
Theory and simulation of atom tunneling in chemical reactions.
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- WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 158, doi. 10.1002/wcms.1165
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- Article
Chem Shell-a modular software package for QM/ MM simulations.
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- WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 101, doi. 10.1002/wcms.1163
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- Article
Umbrella sampling.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 6, p. 932, doi. 10.1002/wcms.66
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- Article
Oxo‐Bridged Zr Dimers as Well‐defined Models of Oxygen Vacancies on ZrO<sub>2</sub>.
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- European Journal of Inorganic Chemistry, 2023, v. 26, n. 12, p. 1, doi. 10.1002/ejic.202200709
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- Article
Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials.
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- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01254-1
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- Article
Performance of two complementary machine-learned potentials in modelling chemically complex systems.
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- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01073-w
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- Article
The unexpected crystal structure of thallium(I) tricyanomethanide Tl[C(CN)<sub>3</sub>].
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 237, doi. 10.1515/znb-2022-0006
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- Article
Ruthenium‐Catalyzed Secondary Amine Formation Studied by Density Functional Theory.
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- ChemCatChem, 2021, v. 13, n. 5, p. 1383, doi. 10.1002/cctc.202001588
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- Article
Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase.
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- ChemCatChem, 2018, v. 10, n. 5, p. 1052, doi. 10.1002/cctc.201701517
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- Article
The ribosome catalyzes peptide bond formation by providing high ionic strength.
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- Molecular Physics, 2010, v. 108, n. 3/4, p. 293, doi. 10.1080/00268970903446764
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- Article
Detecting and Analyzing Fine-Grained User Roles in Social Media.
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- Computer Science & Information Systems, 2023, v. 20, n. 3, p. 1263, doi. 10.2298/CSIS220110006K
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- Article
Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates.
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- Journal of Computational Chemistry, 2019, v. 40, n. 7, p. 866, doi. 10.1002/jcc.25770
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Instanton rate constant calculations close to and above the crossover temperature.
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- Journal of Computational Chemistry, 2017, v. 38, n. 30, p. 2570, doi. 10.1002/jcc.24914
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Kinetic isotope effects calculated with the instanton method.
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- Journal of Computational Chemistry, 2011, v. 32, n. 16, p. 3456, doi. 10.1002/jcc.21930
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- Article
How maltose influences structural changes to bind to maltose-binding protein: Results from umbrella sampling simulation.
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- Proteins, 2013, v. 81, n. 2, p. 185, doi. 10.1002/prot.24174
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Averaging Techniques for Reaction Barriers in QM/MM Simulations.
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- ChemPhysChem, 2014, v. 15, n. 15, p. 3264, doi. 10.1002/cphc.201402382
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- Article
Leukocyte Indices as Markers of Inflammation and Predictors of Outcome in Heart Failure with Preserved Ejection Fraction.
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- Journal of Clinical Medicine, 2024, v. 13, n. 19, p. 5875, doi. 10.3390/jcm13195875
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- Article
Evolution of outcome and complications in TAVR: a meta-analysis of observational and randomized studies.
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- Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-72453-1
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- Article
Free energy reaction root mapping of alanine tripeptide in water.
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- Molecular Physics, 2019, v. 117, n. 17, p. 2284, doi. 10.1080/00268976.2018.1537525
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- Article
Convective Mixing and Reactive Precipitation of Barium Sulfate in Microchannels.
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- Heat Transfer Engineering, 2009, v. 30, n. 1/2, p. 148, doi. 10.1080/01457630802293720
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- Article
Doppelt regioselektive asymmetrische C‐Allylierung von Isoxazolinonen: Iridium‐katalysierte N‐Allylierung mit nachfolgender Aza‐Cope‐Umlagerung.
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- Angewandte Chemie, 2018, v. 130, n. 5, p. 1418, doi. 10.1002/ange.201710940
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- Article
Ein Aluminium-Fluorid-Komplex mit gekoppelter Ammonium-Einheit als außergewöhnlich aktiver kooperativer Katalysator in der asymmetrischen Carboxycyanierung von Aldehyden.
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- Angewandte Chemie, 2017, v. 129, n. 14, p. 4115, doi. 10.1002/ange.201612493
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- Article
Der Tunneleffekt von Atomen in der Chemie.
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- Angewandte Chemie, 2016, v. 128, n. 18, p. 5488, doi. 10.1002/ange.201511028
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- Article
QM/MM-Simulationen ergeben synergetische Substrat- und Sauerstoffaktivierung in Salicylat-Dioxygenase.
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- Angewandte Chemie, 2016, v. 128, n. 3, p. 1182, doi. 10.1002/ange.201506363
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- Article
Zu den stabilisierenden Effekten in Carbengoldkomplexen.
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- Angewandte Chemie, 2015, v. 127, n. 35, p. 10477, doi. 10.1002/ange.201412401
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- Article
A Tale of 7 Elements. Von Eric Scerri.
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- Angewandte Chemie, 2014, v. 126, n. 10, p. 2572, doi. 10.1002/ange.201310155
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- Article
Comparison between treatment of "established" versus complex "off-label" coronary lesions with Absorb® bioresorbable scaffold implantation: results from the GABI-R® registry.
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- Clinical Research in Cardiology, 2020, v. 109, n. 3, p. 374, doi. 10.1007/s00392-019-01517-8
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- Article
Asymmetric Ketone Reduction by Imine Reductases.
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- ChemBioChem, 2017, v. 18, n. 3, p. 253, doi. 10.1002/cbic.201600647
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Cover Picture: Asymmetric Ketone Reduction by Imine Reductases (ChemBioChem 3/2017).
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- ChemBioChem, 2017, v. 18, n. 3, p. 232, doi. 10.1002/cbic.201600704
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- Article
The Lewis Pair Polymerization of Lactones Using Metal Halides and N-Heterocyclic Olefins: Theoretical Insights.
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- Molecules, 2018, v. 23, n. 2, p. 432, doi. 10.3390/molecules23020432
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- Article
Convolutional Neural Networks for Fully Automated Diagnosis of Cardiac Amyloidosis by Cardiac Magnetic Resonance Imaging.
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- Journal of Personalized Medicine, 2021, v. 11, n. 12, p. 1268, doi. 10.3390/jpm11121268
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- Article
Stable Cycling of Room‐Temperature Sodium‐Sulfur Batteries Based on an In Situ Crosslinked Gel Polymer Electrolyte.
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- Advanced Functional Materials, 2022, v. 32, n. 32, p. 1, doi. 10.1002/adfm.202201191
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- Article
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0323-8
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- Article
Amyloid Burden Correlates with Electrocardiographic Findings in Patients with Cardiac Amyloidosis—Insights from Histology and Cardiac Magnetic Resonance Imaging.
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- Journal of Clinical Medicine, 2024, v. 13, n. 2, p. 368, doi. 10.3390/jcm13020368
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- Article
What Type of Patients Did PARAGON-HF Select? Insights from a Real-World Prospective Cohort of Patients with Heart Failure and Preserved Ejection Fraction.
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- Journal of Clinical Medicine, 2020, v. 9, n. 11, p. 3669, doi. 10.3390/jcm9113669
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- Article
Hybrid Coronary Percutaneous Treatment with Metallic Stents and Everolimus-Eluting Bioresorbable Vascular Scaffolds: 2-Years Results from the GABI-R Registry.
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- Journal of Clinical Medicine, 2019, v. 8, n. 6, p. 767, doi. 10.3390/jcm8060767
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- Article
Cardiac amyloidosis: a significant blind spot of the H<sub>2</sub>FPeF score.
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- Panminerva Medica, 2023, v. 65, n. 4, p. 491, doi. 10.23736/S0031-0808.22.04649-3
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- Article
Particle methods in natural science and engineering.
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- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1493, doi. 10.1140/epjst/e2019-900008-2
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Unfolding of DNA by co-solutes: insights from Kirkwood-Buff integrals and transfer free energies.
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- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1665, doi. 10.1140/epjst/e2019-800163-5
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- Article
Copper coordination in formylglycine generating enzymes.
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- European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1657, doi. 10.1140/epjst/e2019-800149-7
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- Article
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 18, p. N.PAG, doi. 10.3390/ijms231810339
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- Article