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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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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: 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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المؤلفون: Siewert J. Marrink, Emily R. Draper, Dave J. Adams, Haleh Abdizadeh, Bart Dietrich, Ralf Schweins, Hao Su, Ilias Patmanidis, Kate McAulay, Christopher Brasnett, Honggang Cui, Annela M. Seddon
المساهمون: Molecular Dynamics
المصدر: Draper, E R, Dietrich, B, McAulay, K, Brasnett, C, Abdizadeh, H, Patmanidis, I, Marrink, S J, Su, H, Cui, H, Schweins, R, Seddon, A & Adams, D J 2020, ' Using Small-Angle Scattering and Contrast Matching to Understand Molecular Packing in Low Molecular Weight Gels ', Matter, vol. 2, no. 3, pp. 764-778 . https://doi.org/10.1016/j.matt.2019.12.028
'Matter ', vol: 2, pages: 764-778 (2020)
Matter, 2(3), 764-778. CELL PRESSمصطلحات موضوعية: gel, Understanding [MAP3], Materials science, Matching (graph theory), Kinetics, GELATORS, FMOC-DIPHENYLALANINE, Neutron scattering, DESIGN, Molecule, General Materials Science, SOLVENT, Small-angle X-ray scattering, SANS, SUPRAMOLECULAR HYDROGEL, PEPTIDES, SAXS, Small molecule, SELF, peptide, GELATION, Chemical physics, Drug delivery, Small-angle scattering, hydrogel, TRANSITION
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4c07b5200a18986bffe0c9bd73d440b
https://hdl.handle.net/11370/f63bfba9-f360-4517-b37f-87abaf1256f0 -
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المؤلفون: Sundar Raj Krishnaswamy, Ivo A. Gabrovski, Ilias Patmanidis, Marc C. A. Stuart, Alex H. de Vries, Maxim S. Pshenichnikov
المساهمون: Optical Physics of Condensed Matter, Zernike Institute for Advanced Materials, Molecular Dynamics, Electron Microscopy
المصدر: Scientific Reports, 12(1):5552. Nature Publishing Group
مصطلحات موضوعية: Models, Molecular, Microscopy, Multidisciplinary, Nanotubes, Microscopy, Electron, Transmission, Models, Nanotubes/chemistry, Microfluidics, Transmission, Molecular, Electron, Nanostructures
وصف الملف: application/pdf
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المساهمون: Molecular Dynamics
المصدر: Molecules, Vol 26, Iss 6069, p 6069 (2021)
Molecules
Volume 26
Issue 19
Molecules, 26(19):6069. MDPI AGمصطلحات موضوعية: Materials science, Force field (physics), Stacking, Metadynamics, Pharmaceutical Science, Organic chemistry, Aromaticity, small aromatic molecules, Article, Analytical Chemistry, Supramolecular assembly, Molecular dynamics, chemistry.chemical_compound, Tetracene, QD241-441, chemistry, Chemistry (miscellaneous), Chemical physics, Drug Discovery, dimerization free energy, force field comparison, Molecular Medicine, Physical and Theoretical Chemistry, Topology (chemistry)
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f660eee2fb56149b3ac919fd74989b5
https://doi.org/10.26434/chemrxiv-2021-f9vp6-v2 -
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مصطلحات موضوعية: Physics, Molecular dynamics, Work (thermodynamics), chemistry.chemical_compound, Tetracene, chemistry, Chemical physics, Metadynamics, Stacking, Aromaticity, Topology (chemistry), Supramolecular assembly
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03e34d557b77995759c0b39dc76973f9
https://doi.org/10.33774/chemrxiv-2021-f9vp6 -
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المؤلفون: Siewert J. Marrink, Riccardo Alessandri, Ilias Patmanidis, Anders S. Gertsen, Jonathan Barnoud, Paulo C. T. Souza, Alex H. de Vries
المساهمون: Molecular Dynamics
المصدر: Alessandri, R, Barnoud, J, Gertsen, A S, Patmanidis, I, de Vries, A H, Souza, P C T & Marrink, S J 2022, ' Martini 3 Coarse-Grained Force Field : Small Molecules ', Advanced Theory and Simulations, vol. 5, no. 1, 2100391 . https://doi.org/10.1002/adts.202100391
Advanced theory and simulations, 5(1):2100391. WILEY-V C H VERLAG GMBHمصطلحات موضوعية: Statistics and Probability, Computer science, Stacking, 02 engineering and technology, Molecular dynamics, 010402 general chemistry, 01 natural sciences, Force field (chemistry), Martini, 0103 physical sciences, Statistical physics, Topology (chemistry), Numerical Analysis, Modularity (networks), Multidisciplinary, 010304 chemical physics, Small molecules, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Modeling and Simulation, Particle, Coarse-graining, Granularity, 0210 nano-technology, Parametrization
وصف الملف: application/pdf
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