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Dynamical Behavior and Conformational Selection Mechanism of the Intrinsically Disordered Sic1 Kinase-Inhibitor Domain.
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- Life (2075-1729), 2020, v. 10, n. 7, p. 110, doi. 10.3390/life10070110
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- Article
Pilot-Wave Quantum Theory with a Single Bohm's Trajectory.
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- Foundations of Physics, 2016, v. 46, n. 5, p. 575, doi. 10.1007/s10701-015-9979-1
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- Article
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen.
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- PEDS: Protein Engineering, Design & Selection, 2017, v. 30, n. 3, p. 167, doi. 10.1093/protein/gzw071
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- Article
Conformational studies of octalene and its benzo-derivatives.
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- Journal of Computational Chemistry, 1984, v. 5, n. 4, p. 343, doi. 10.1002/jcc.540050410
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- Article
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory.
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- Journal of Biological Inorganic Chemistry (JBIC), 2013, v. 18, n. 6, p. 693, doi. 10.1007/s00775-013-1014-4
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- Article
Inducible IL-2 production by dendritic cells revealed by global gene expression analysis.
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- Nature Immunology, 2001, v. 2, n. 9, p. 882, doi. 10.1038/ni0901-882
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- Article
Cover Feature: CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme (ChemPhysChem 13/2024).
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- ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400645
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- Article
CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme.
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- ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400293
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- Article
Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO‐Dehydrogenase? Answers from Theory.
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- ChemPhysChem, 2022, v. 23, n. 8, p. 1, doi. 10.1002/cphc.202200053
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- Article
Spontaneous β-helical fold in prion protein: The case of PrP(82-146).
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- Proteins, 2009, v. 75, n. 4, p. 964, doi. 10.1002/prot.22306
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- Article
The anti-fibrillogenic activity of tetracyclines on PrP 106–126: a 3D-QSAR study.
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- Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 987, doi. 10.1007/s00894-008-0348-2
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- Article
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase.
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- Inorganics, 2019, v. 7, n. 11, p. 135, doi. 10.3390/inorganics7110135
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- Article
Skeletal muscle hypertrophy and structure and function of skeletal muscle fibres in male body builders.
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- Journal of Physiology, 2006, v. 570, n. 3, p. 611, doi. 10.1113/jphysiol.2005.101642
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- Article
Theoretical and experimental investigation of UV-Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 10, p. 1, doi. 10.1007/s00214-017-2151-6
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- Article
Computational modelling of de novo synthesis of Dibenzofuran: oxidative pathways of Pyrene and Benzodibenzofuran.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1182-2
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- Article
Stochastic modelling of roto-translational motion of dyes in micellar environment.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 1017, doi. 10.1007/s00214-006-0228-8
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- Article
Computational approaches to shed light on molecular mechanisms in biological processes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 723, doi. 10.1007/s00214-006-0203-4
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- Article
Theoretical investigation into the influence of conformational equilibria on the water-exchange process in magnetic resonance imaging contrast agents.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 111, n. 2-6, p. 204, doi. 10.1007/s00214-003-0525-4
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- Article
Computational Insight on CO<sub>2</sub> Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts.
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- ChemCatChem, 2016, v. 8, n. 6, p. 1167, doi. 10.1002/cctc.201501272
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- Article
Calix[4]arene‐Based Sensitizers for Host‐Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells.
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- European Journal of Organic Chemistry, 2022, v. 2022, n. 34, p. 1, doi. 10.1002/ejoc.202200649
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- Article