المؤلفون: Jon I Mujika, Elixabete Rezabal, Jose M Mercero, Fernando Ruipérez, Dominique Costa, Jesus M Ugalde, Xabier Lopez

المصدر: Computational and Structural Biotechnology Journal, Vol 9, Iss 15 (2014)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037014600027; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/7b1dab953f0b4f9f9db8a80fe7fa1323

المؤلفون: Julianna Oláh, James R. Ketudat-Cairns, Natechanok Thinkumrob, Jitrayut Jitonnom, Tanchanok Wanjai, Supa Hannongbua, Jon I. Mujika, Wijitra Meelua

المصدر: Journal of Biomolecular Structure and Dynamics. 40:7439-7449

مصطلحات موضوعية: chemistry.chemical_classification, 0303 health sciences, Glycoside Hydrolases, biology, Chemistry, Stereochemistry, Hydrolysis, 030303 biophysics, Active site, General Medicine, Molecular Dynamics Simulation, Polysaccharide, Catalysis, QM/MM, 03 medical and health sciences, Molecular dynamics, Enzyme, Polysaccharides, Structural Biology, Catalytic Domain, biology.protein, Glycoside hydrolase, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d95450aa5b226f903c170af958cbb42a
https://doi.org/10.1080/07391102.2021.1898469

المؤلفون: Josiah D. Ruberry, Jack T. Fuller, Jon I. Mujika, Michael R. Nechay, Marie Victor, Anastassia N. Alexandrova, Xabier Lopez, Wei Li, David J. Reilley

المساهمون: Department of Chemistry and Biochemistry [Los Angeles], University of California [Los Angeles] (UCLA), University of California-University of California, Formation, élaboration de nanomatériaux et cristaux (FENNEC), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry and Chemical Biology [Harvard], Harvard University [Cambridge], Kimika Fakultatea, Euskal Herriko Unibertsitatea, and Donostia International Physics Center (DIPC), California NanoSystems Institute [Los Angeles] (CNSI)

المصدر: Biophysical Journal
Biophysical Journal, Biophysical Society, 2020, 118 (12), pp.2979-2988. ⟨10.1016/j.bpj.2020.05.006⟩
Biophys J

مصطلحات موضوعية: Biophysics, Metal Binding Site, Protonation, Molecular Dynamics Simulation, Ferric Compounds, Metal, [SPI]Engineering Sciences [physics], 03 medical and health sciences, Molecular dynamics, 0302 clinical medicine, Transition metal, Humans, [CHIM]Chemical Sciences, Cytotoxicity, 030304 developmental biology, [PHYS]Physics [physics], chemistry.chemical_classification, 0303 health sciences, Transferrin, Biological Transport, Articles, chemistry, Metals, visual_art, Drug delivery, visual_art.visual_art_medium, 030217 neurology & neurosurgery

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcabaab4feb944806f69bb210907e4a5
https://doi.org/10.1016/j.bpj.2020.05.006

المؤلفون: G. Dalla Torre, Joanna Izabela Lachowicz, Xabier Lopez, Jon I. Mujika

المصدر: RSC Advances. 9:7688-7697

مصطلحات موضوعية: chemistry.chemical_classification, Chemistry, General Chemical Engineering, In silico, chemistry.chemical_element, Peptide, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Combinatorial chemistry, 0104 chemical sciences, Amino acid, Cell membrane, Residue (chemistry), chemistry.chemical_compound, medicine.anatomical_structure, Aluminium, medicine, Chelation, Mimosine, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fb11bc8f861beb621f0b59dd9aa6e9c0
https://doi.org/10.1039/c8ra10139f

المؤلفون: Gabriele Dalla Torre, Xabier Lopez, Maria J. Ramos, Joanna Izabela Lachowicz, Jon I. Mujika

المصدر: Dalton Transactions. 48:6003-6018

مصطلحات موضوعية: Models, Molecular, Dopamine, Implicit solvation, Static Electricity, Catechols, Ionic bonding, Electrons, Ligands, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, chemistry.chemical_compound, Catecholamines, Deprotonation, Coordination Complexes, Risk Factors, Computational chemistry, Static electricity, Neurotransmitter Agents, Catechol, 010405 organic chemistry, Chemistry, Atoms in molecules, Neurodegenerative Diseases, Hydrogen-Ion Concentration, 0104 chemical sciences, Covalent bond, Thermodynamics, Density functional theory, Aluminum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21896615026e9463057ce46334860948
https://doi.org/10.1039/c8dt04216k

المؤلفون: Jon I. Mujika, Elena Formoso, Rafael Grande-Aztatzi, Xabier Lopez, David De Sancho

المصدر: Journal of inorganic biochemistry. 210

مصطلحات موضوعية: Phosphopeptides, Neurofilament, Protein Conformation, Binding energy, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Biochemistry, Coordination complex, Inorganic Chemistry, Molecular dynamics, Coordination Complexes, Neurofilament Proteins, Humans, Binding site, Protein secondary structure, Density Functional Theory, chemistry.chemical_classification, 010405 organic chemistry, Chemistry, Solvation, Peptide Fragments, 0104 chemical sciences, Models, Chemical, Biophysics, Thermodynamics, Density functional theory, Aluminum, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28809b4ec8891203f9ec15f8674b1b2c
https://pubmed.ncbi.nlm.nih.gov/32679460

المؤلفون: Jon I. Mujika, Enrico Randaccio, Mariusz Jaremko, Rosita Cappai, Remigiusz Bachor, Sofia Cosentino, Maria Barbara Pisano, Joanna Izabela Lachowicz, Gabriele Dalla Torre, Germano Orrù, Lukasz Jaremko, Xabier Lopez, Zbigniew Szewczuk, Valeria Marina Nurchi, Antonella Ibba

المصدر: Dalton transactions (Cambridge, England : 2003). 49(9)

مصطلحات موضوعية: Structural similarity, Antimicrobial peptides, Microbial Sensitivity Tests, Gram-Positive Bacteria, Metal Chelator, Ferric Compounds, Inorganic Chemistry, 03 medical and health sciences, chemistry.chemical_compound, Moiety, Molecule, Humans, Mimosine, Chelation, Density Functional Theory, 030304 developmental biology, Chelating Agents, chemistry.chemical_classification, 0303 health sciences, Molecular Structure, 030306 microbiology, Combinatorial chemistry, Amino acid, Anti-Bacterial Agents, chemistry, Biofilms, Copper, Antimicrobial Cationic Peptides

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f1e30738c34a220cceed57ba6f3f719
https://pubmed.ncbi.nlm.nih.gov/32067003

المؤلفون: Jon I. Mujika, Xabier Lopez, Christopher Exley, Sławomir J. Grabowski, Rafael Grande-Aztatzi, Gabriele Dalla Torre, Elena Formoso

المصدر: Journal of Inorganic Biochemistry

مصطلحات موضوعية: Models, Molecular, inorganic chemicals, Protein Conformation, Stereochemistry, Amino Acid Motifs, Static Electricity, Binding energy, Aluminum Hydroxide, Peptide, Ligands, 010402 general chemistry, complex mixtures, 01 natural sciences, Biochemistry, Inorganic Chemistry, Phosphoserine, chemistry.chemical_compound, Coordination Complexes, Aspartic acid, Humans, Computer Simulation, QD, Denaturation (biochemistry), Phosphorylation, Protein secondary structure, Chelating Agents, chemistry.chemical_classification, Amyloid beta-Peptides, Binding Sites, 010405 organic chemistry, Computational Biology, Preferential binding, Carbonyl group, Peptide Fragments, 0104 chemical sciences, Amino acid, Kinetics, Energy Transfer, chemistry, Quantum Theory, Thermodynamics, Environmental Pollutants, Oligopeptides, Aluminum

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b3ea795e7799fa09829b4b08832b7289
https://doi.org/10.1016/j.jinorgbio.2017.10.014

المؤلفون: Xabier Lopez, Gabriele Dalla Torre, Jon I. Mujika

المصدر: Physical Chemistry Chemical Physics

مصطلحات موضوعية: inorganic chemicals, Fenton reaction, 010405 organic chemistry, Human organism, media_common.quotation_subject, Inorganic chemistry, General Physics and Astronomy, chemistry.chemical_element, 010402 general chemistry, complex mixtures, 01 natural sciences, 0104 chemical sciences, Metal, Speciation, Blood serum, chemistry, Aluminium, visual_art, visual_art.visual_art_medium, Chelation, Physical and Theoretical Chemistry, Ternary operation, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06d7617a418656164d9c48e8201817c0
https://doi.org/10.1039/c8cp02962h

المؤلفون: Marc W. van der Kamp, Adrian J. Mulholland, Jitrayut Jitonnom, Jon I. Mujika

المصدر: Jitonnom, J, Mujika, J I, van der Kamp, M W & Mulholland, A J 2017, ' Quantum mechanics/molecular mechanics simulations identify the ring-opening mechanism of creatininase ', Biochemistry, vol. 56, no. 48, pp. 6377-6388 . https://doi.org/10.1021/acs.biochem.7b01032

مصطلحات موضوعية: 010304 chemical physics, Proton, Protein Conformation, Hydrogen bond, Chemistry, Protonation, 010402 general chemistry, Ring (chemistry), 01 natural sciences, Biochemistry, Amidohydrolases, 0104 chemical sciences, Protein structure, Models, Chemical, Computational chemistry, Tetrahedral carbonyl addition compound, Quantum mechanics, 0103 physical sciences, Quantum Theory, Molecule, Computer Simulation, Creatininase

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf65498fef394ae0b8696e582b2ae9ae
https://doi.org/10.1021/acs.biochem.7b01032