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A Dynamic Water Channel Affects O<sub>2</sub> Stability in [FeFe]‐Hydrogenases.
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- ChemSusChem, 2024, v. 17, n. 3, p. 1, doi. 10.1002/cssc.202301365
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- Article
Chiroptical Recognition of Carboxylates with Charge‐Neutral Double‐Stranded Zinc(II) Helicates.
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- Chemistry - A European Journal, 2023, v. 29, n. 61, p. 1, doi. 10.1002/chem.202301613
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- Article
Thermodynamic forces from protein and water govern condensate formation of an intrinsically disordered protein domain.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41586-y
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- Article
Anionic Phospholipids Stimulate the Proton Pumping Activity of the Plant Plasma Membrane P-Type H + -ATPase.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 17, p. 13106, doi. 10.3390/ijms241713106
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- Article
Epigenetic CpG duplex marks probed by an evolved DNA reader via a well-tempered conformational plasticity.
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- Nucleic Acids Research, 2023, v. 51, n. 12, p. 6495, doi. 10.1093/nar/gkad134
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- Article
Synthetic Monosaccharide Channels: Size‐Selective Transmembrane Transport of Glucose and Fructose Mediated by Porphyrin Boxes.
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- Angewandte Chemie, 2023, v. 135, n. 2, p. 1, doi. 10.1002/ange.202214326
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- Article
Synthetic Monosaccharide Channels: Size‐Selective Transmembrane Transport of Glucose and Fructose Mediated by Porphyrin Boxes.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 2, p. 1, doi. 10.1002/anie.202214326
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- Article
Steuerung der ultraschnellen Öffnungs‐ und Schließungsdynamik eines photochromen Koordinationskäfigs durch Gastmoleküle.
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- Angewandte Chemie, 2022, v. 134, n. 49, p. 1, doi. 10.1002/ange.202212112
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- Article
Steering the Ultrafast Opening and Closure Dynamics of a Photochromic Coordination Cage by Guest Molecules.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 49, p. 1, doi. 10.1002/anie.202212112
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- Article
Endohedral funktionalisierte heteroleptische Koordinationskäfige für die Bindung von Phosphatestern.
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- Angewandte Chemie, 2022, v. 134, n. 47, p. 1, doi. 10.1002/ange.202209305
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- Article
Endohedrally Functionalized Heteroleptic Coordination Cages for Phosphate Ester Binding.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 47, p. 1, doi. 10.1002/anie.202209305
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- Article
Accurate evaluation of combustion enthalpy by ab-intio computations.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-09844-z
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- Article
Frontispiz: The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 1, doi. 10.1002/ange.202085161
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- Article
The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 23116, doi. 10.1002/ange.202009348
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- Article
Frontispiece: The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 51, p. 1, doi. 10.1002/anie.202085161
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- Article
The Active Site of a Prototypical "Rigid" Drug Target is Marked by Extensive Conformational Dynamics.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 51, p. 22916, doi. 10.1002/anie.202009348
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- Article
The extracellular gate shapes the energy profile of an ABC exporter.
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- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-09892-6
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- Article
Donor‐Site‐Directed Rational Assembly of Heteroleptic cis‐[Pd<sub>2</sub>L<sub>2</sub>L′<sub>2</sub>] Coordination Cages from Picolyl Ligands.
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- Chemistry - A European Journal, 2018, v. 24, n. 49, p. 12976, doi. 10.1002/chem.201802188
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- Article
Systematic evaluation of CS-Rosetta for membrane protein structure prediction with sparse NOE restraints.
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- Proteins, 2017, v. 85, n. 5, p. 812, doi. 10.1002/prot.25224
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- Article
Partial Dissociation of Truncated Peptides influences the structural Dynamics of the MHCI Binding groove.
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- Frontiers in Immunology, 2017, v. 8, p. 1, doi. 10.3389/fimmu.2017.00408
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- Article
Molecular mechanism of peptide editing in the tapasin-MHC I complex.
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- Scientific Reports, 2016, p. 19085, doi. 10.1038/srep19085
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Assembly of the MHC I peptide-loading complex determined by a conserved ionic lock-switch.
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- Scientific Reports, 2015, p. 17341, doi. 10.1038/srep17341
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Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
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- Journal of Computational Chemistry, 2011, v. 32, n. 9, p. 1919, doi. 10.1002/jcc.21776
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- Article
Polarizable Water Model for the Coarse-Grained MARTINI Force Field.
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- PLoS Computational Biology, 2010, v. 6, n. 6, p. 1, doi. 10.1371/journal.pcbi.1000810
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Reconstruction of atomistic details from coarse-grained structures.
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- Journal of Computational Chemistry, 2010, v. 31, n. 6, p. 1333, doi. 10.1002/jcc.21415
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- Article
Chromophore Protonation State Controls Photoswitching of the Fluoroprotein asFP595.
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- PLoS Computational Biology, 2008, v. 4, n. 3, p. 1, doi. 10.1371/journal.pcbi.1000034
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- Article
Elastic Properties of Photoswitchable Azobenzene Polymers from Molecular Dynamics Simulations.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 13, p. 2232, doi. 10.1002/anie.200604595
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- Article
Photoswitching of the Fluorescent Protein asFP595: Mechanism, Proton Pathways, and Absorption Spectra.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 4, p. 530, doi. 10.1002/anie.200602315
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Flooding in <MONO>GROMACS</MONO>: Accelerated barrier crossings in molecular dynamics.
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- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1693, doi. 10.1002/jcc.20473
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- Article