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1دورية أكاديمية
المؤلفون: Sundar Raj Krishnaswamy, Ivo A. Gabrovski, Ilias Patmanidis, Marc C. A. Stuart, Alex H. de Vries, Maxim S. Pshenichnikov
المصدر: Scientific Reports, Vol 12, Iss 1, Pp 1-8 (2022)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2045-2322
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2دورية أكاديمية
المصدر: Molecules, Vol 26, Iss 19, p 6069 (2021)
مصطلحات موضوعية: dimerization free energy, force field comparison, small aromatic molecules, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3دورية أكاديمية
المؤلفون: Matej Kanduč, Alexander Schlaich, Alex H. de Vries, Juliette Jouhet, Eric Maréchal, Bruno Demé, Roland R. Netz, Emanuel Schneck
المصدر: Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
مصطلحات موضوعية: Science
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2041-1723
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المؤلفون: Bini Claringbold, Alex H. de Vries, Christopher J. Serpell, Nadeema Appukutti, Michael R. Reithofer, Michelle D. Garrett, Prashant G. Gudeangadi
المساهمون: Molecular Dynamics
المصدر: Chemical communications (Cambridge, England), 58(87), 12200-12203. ROYAL SOC CHEMISTRY
مصطلحات موضوعية: Thermochromism, Stereochemistry, Supramolecular chemistry, Metals and Alloys, Sequence (biology), General Chemistry, Acceptor, Catalysis, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Nanostructures, chemistry.chemical_compound, Monomer, chemistry, Phosphodiester bond, Nucleic acid, Materials Chemistry, Ceramics and Composites, Self-assembly
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2460b73bfaccc49acdba006c52cff8b
https://doi.org/10.1039/d2cc00239f -
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المؤلفون: Selim Sami, Riccardo Alessandri, Jeff B. W. Wijaya, Fabian Grünewald, Alex H. de Vries, Siewert J. Marrink, Ria Broer, Remco W. A. Havenith
المساهمون: Molecular Dynamics, Theoretical Chemistry, Molecular Energy Materials, Stratingh Institute of Chemistry
المصدر: JOURNAL OF PHYSICAL CHEMISTRY C
Journal of Physical Chemistry C, 126(45):2c05682, 19462-19469. AMER CHEMICAL SOCمصطلحات موضوعية: Chemistry, EFFICIENCY, General Energy, MORPHOLOGY, RELAXATION, Physical and Theoretical Chemistry, SIDE-CHAIN, CONJUGATED POLYMERS, SEMICONDUCTORS, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials
وصف الملف: application/pdf
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المؤلفون: Ilias Patmanidis, Paulo C. T. Souza, Selim Sami, Remco W. A. Havenith, Alex H. de Vries, Siewert J. Marrink
المساهمون: Molecular Dynamics, Theoretical Chemistry, Molecular Energy Materials
المصدر: NANOSCALE ADVANCES
Nanoscale advances, 4(14), 3033-3042. ROYAL SOC CHEMISTRYمصطلحات موضوعية: Chemistry, MOLECULAR-DYNAMICS, FORCE-FIELD, ABSORPTION, General Engineering, SPECTRA, General Materials Science, Bioengineering, General Chemistry, CARBOCYANINE DYE, SIMULATIONS, Atomic and Molecular Physics, and Optics
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b495725cf595083c2906c93553ab171
https://doi.org/10.1039/d2na00158f -
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المؤلفون: Siewert J. Marrink, Weria Pezeshkian, Yang Liu, Alex H. de Vries
المساهمون: Molecular Dynamics
المصدر: Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, 17(9):00151, 5876-5884. AMER CHEMICAL SOCمصطلحات موضوعية: Materials science, 010304 chemical physics, Force field (physics), Resolution (electron density), Membranes, Artificial, Plasma, Molecular Dynamics Simulation, 01 natural sciences, Article, Computer Science Applications, Molecular dynamics, Membrane Lipids, Membrane, Chemical physics, 0103 physical sciences, Physical and Theoretical Chemistry, Ternary operation
وصف الملف: application/pdf
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المؤلفون: Vincent Nieto, Valentina Corradi, Siewert J. Marrink, Matti Javanainen, Peter C. Kroon, Ilpo Vattulainen, Hector Martinez-Seara, D. Peter Tieleman, Alex H. de Vries, Jan Domański, Hanif M. Khan, Robert B. Best, Ilias Patmanidis, Sebastian Thallmair, Ignacio Faustino, Xavier Periole, Jonathan Barnoud, Tsjerk A. Wassenaar, Josef Melcr, Nathalie Reuter, Haleh Abdizadeh, Bart M H Bruininks, Paulo C. T. Souza, Fabian Grünewald, Riccardo Alessandri, Luca Monticelli
المساهمون: Department of Physics, Molecular Dynamics
المصدر: Nature Methods, 18, 382-388. Nature Publishing Group
Nature Methods
Souza, P C T, Alessandri, R, Barnoud, J, Thallmair, S, Faustino, I, Grünewald, F, Patmanidis, I, Abdizadeh, H, Bruininks, B M H, Wassenaar, T A, Kroon, P C, Melcr, J, Nieto, V, Corradi, V, Khan, H M, Domański, J, Javanainen, M, Martinez-Seara, H, Reuter, N, Best, R B, Vattulainen, I, Monticelli, L, Periole, X, Tieleman, D P, de Vries, A H & Marrink, S J 2021, ' Martini 3 : a general purpose force field for coarse-grained molecular dynamics ', Nature Methods, vol. 18, no. 4, pp. 382-388 . https://doi.org/10.1038/s41592-021-01098-3مصطلحات موضوعية: STRUCTURAL BASIS, Materials science, Lipid Bilayers, TRANSITIONS, Molecular Dynamics Simulation, SOLUBILITY, Molecular systems, Biochemistry, Miscibility, Force field (chemistry), PROTEIN-PROTEIN INTERACTIONS, 03 medical and health sciences, Molecular dynamics, Polarizability, Molecular Biology, 030304 developmental biology, 0303 health sciences, Computational model, Hydrogen Bonding, ASSOCIATION, Cell Biology, TRANSMEMBRANE DOMAIN, SIMULATIONS, TRANSMEMBRANE DOMAIN DIMERIZATION, MODEL, General purpose, Chemical physics, Thermodynamics, 1182 Biochemistry, cell and molecular biology, Computational biophysics, HELIX INTERACTIONS, EXTENSION, Biotechnology
وصف الملف: application/pdf
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المؤلفون: Thomas L. C. Jansen, Paulo C. T. Souza, Riccardo Alessandri, Alex H. de Vries, Siewert J. Marrink, Jasper Knoester, Anna S. Bondarenko, Ilias Patmanidis
المساهمون: Theory of Condensed Matter, Molecular Dynamics
المصدر: Chemical Science
Chemical Science, 11(42), 11514-11524. ROYAL SOC CHEMISTRYمصطلحات موضوعية: DYNAMICS, Materials science, DYE, Exciton, Aggregate (data warehouse), Supramolecular chemistry, General Chemistry, Multiscale modeling, TRANSPORT, Molecular dynamics, Chemistry, Chemical physics, Excited state, CELLS, Molecule, SPECTRA, ENERGY MIGRATION, Quantum
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a30f77dcd8ae266032614b7ca47adb2
http://europepmc.org/articles/PMC8162738 -
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المساهمون: Molecular Dynamics
المصدر: Journal of Chemical Theory and Computation, 16(8):acs.jctc.0c00429, 5313-5322. AMER CHEMICAL SOC
Journal of Chemical Theory and Computationمصطلحات موضوعية: Physics, Quantitative Biology::Biomolecules, High energy, 010304 chemical physics, Replica, Energy landscape, 01 natural sciences, Article, Force field (chemistry), Computer Science Applications, Maxima and minima, Molecular dynamics, symbols.namesake, RESOLUTION, MOLECULAR-DYNAMICS, SYSTEMS, 0103 physical sciences, FORCE-FIELD, symbols, Mathematics::Metric Geometry, ALGORITHM, Statistical physics, Physical and Theoretical Chemistry, BIOMOLECULAR SIMULATION, Hamiltonian (quantum mechanics)
وصف الملف: application/pdf
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