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Proteins, ISSN 0887-3585, 07/2019
The cystic fibrosis transmembrane conductance regulator (CFTR) channel is an ion channel responsible for chloride transport in epithelia and it belongs to the... 
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 12/2014, Volume 10, Issue 12
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 08/2011, Volume 7, Issue 8
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 02/2017, Volume 57, Issue 2, p. 256
  Cytochrome c oxidase (CcO) couples the reduction of dioxygen to water with transmembrane proton pumping, which leads to the generation of an electrochemical... 
Cytochrome | Analytical chemistry | Protons | Acidity | Electrostatics | Monte Carlo simulation
Journal Article
ISSN 1144-0546, 12/2017, Volume 41, Issue 24, pp. 15581 - 15589
The conformational properties and the photochemical behaviour of a 2-(1 H -tetrazol-1-yl)thiophene were studied using low-temperature matrix isolation (argon;... 
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 04/2015, Volume 55, Issue 4, p. 795
  Influenza virus is one of the most devastating human pathogens. In order to infect host cells, this virus fuses its membrane with the host membrane in a... 
Membranes | Simulation | Peptides | Influenza | Glycoproteins
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 12/2014, Volume 10, Issue 12
  Cytochrome c oxidases (Ccoxs) are the terminal enzymes of the respiratory chain in mitochondria and most bacteria. These enzymes couple dioxygen (O2)... 
Protons | Cytochrome | Enzymes | Mitochondria | Prokaryotes | Ligands | Copper | Diffusion | Membranes | Computer simulation | Molecular dynamics | Cytochromes | Bacteria | Channels
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2012, Volume 52, Issue 11, p. 3001
  Membrane fusion is a process involved in a high range of biological functions, going from viral infections to neurotransmitter release. Fusogenic proteins... 
Membranes | Neurotransmitters | Peptides | Lipids | Mutation | Crystallography | Viral infections
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 02/2012, Volume 52, Issue 2, p. 465
One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in organic solvents than in water. There are, however, some... 
Enzymes | Solvents | Simulation | Aqueous solutions | Ethanol
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 08/2011, Volume 7, Issue 8
ATP-Binding Cassette transporters are ubiquitous membrane proteins that convert the energy from ATP-binding and hydrolysis into conformational changes of the... 
Proteins | Genetic disorders | Hemophilia | ABC transporters | Drug resistance | Experiments | Binding sites | Exports | Communication
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2018, Volume 140, Issue 43, pp. 14112 - 14125
The ATP-binding cassette (ABC) transporter MsbA is an ATP-driven lipid-A flippase. It belongs to the ABC protein superfamily whose members are characterized by... 
CONDUCTANCE REGULATOR CFTR | ESCHERICHIA-COLI MSBA | MOLECULAR-DYNAMICS | CONFORMATIONAL-CHANGES | SOLID-STATE NMR | MALTOSE TRANSPORTER | DYNAMIC-NUCLEAR-POLARIZATION | RIDME SPECTROSCOPY | ADENYLATE KINASE-ACTIVITY | CHEMISTRY, MULTIDISCIPLINARY | ATP-BINDING
Journal Article
Journal of medical virology, 08/2018
Recent studies have suggested that human pegivirus 1 (HPgV-1) may have some pathogenic potential. In the southernmost region of Brazil, studies on HPgV-1 are... 
Journal Article
Nature Communications, ISSN 2041-1723, 12/2018, Volume 9, Issue 1, pp. 5448 - 11
The bioenergetics of anaerobic metabolism frequently relies on redox loops performed by membrane complexes with substrate-and quinone-binding sites on opposite... 
OXIDATION | COMPLEX | TRANSPORT | PROTEIN | BIOENERGETICS | RESPIRATION | RELEVANCE | MULTIDISCIPLINARY SCIENCES | IDENTIFICATION | RECONSTITUTION | HYDROGENASE | Sulfate reduction | Protons | Hydrogen | Quinone | Sulfur cycle | Metabolism | Sulfates | Substrates | Reduction | Bioenergetics | Energy conservation | Desulfovibrio | Sulfur | Binding sites
Journal Article
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