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1دورية أكاديمية
المصدر: CHIMIA, Vol 73, Iss 12 (2019)
مصطلحات موضوعية: Machine learning, Molecular dynamics, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://www.chimia.ch/chimia/article/view/1354; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424
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2
المؤلفون: Moritz Thürlemann, Lennard Böselt, Sereina Riniker
المصدر: Journal of Chemical Theory and Computation, 19 (2)
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, FOS: Physical sciences, Physical and Theoretical Chemistry, Computer Science Applications
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3
المؤلفون: Lennard Böselt, Roy Aerts, Wouter Herrebout, Sereina Riniker
المصدر: Physical chemistry, chemical physics
Physical Chemistry Chemical Physics, 25 (3)مصطلحات موضوعية: Chemistry, Physics, General Physics and Astronomy, Physical and Theoretical Chemistry
وصف الملف: application/application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05fb2d1fff2b1e1dd70c62700d7f9a1b
https://hdl.handle.net/10067/1927280151162165141 -
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المؤلفون: Albert Hofstetter, Lennard Böselt, Sereina Riniker
المصدر: Physical Chemistry Chemical Physics, 24 (37)
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Machine Learning, Cytosine, Physics - Chemical Physics, General Physics and Astronomy, FOS: Physical sciences, Quantum Theory, Water, Tretinoin, Neural Networks, Computer, Prospective Studies, Physical and Theoretical Chemistry, Molecular Dynamics Simulation
وصف الملف: application/application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fafc2e66e58f27d314c7b64b38394142
https://pubmed.ncbi.nlm.nih.gov/36106790 -
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المؤلفون: Moritz E. Hansen, Christina Schäffer, Deren Pehlivanoglu, Erick M. Carreira, Felix Pultar, Sereina Riniker, Alberto G. Kravina, Salomé LeibundGut-Landmann, Lennard Böselt, Ricardo Fróis-Martins, Susanne Bloch, Susanne Wolfrum
المساهمون: University of Zurich
المصدر: Journal of the American Chemical Society. 143:10389-10402
مصطلحات موضوعية: Models, Molecular, chemistry.chemical_classification, Antifungal Agents, Natural product, biology, Stereochemistry, Hyphae, Enantioselective synthesis, Lipopeptide, Total synthesis, Sequence (biology), General Chemistry, biology.organism_classification, Peptides, Cyclic, Biochemistry, Catalysis, Cyclic peptide, chemistry.chemical_compound, Colloid and Surface Chemistry, chemistry, Amide, Candida albicans, 570 Life sciences, 10244 Institute of Virology
وصف الملف: jacs.1c04825.pdf - application/pdf
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6
المؤلفون: Sandra Steiner, Reinhard Dötzer, Michaela Stritzinger, Susanne Salzmann, Lennard Böselt, Sereina Riniker
المصدر: Analytical Chemistry, 92 (13)
مصطلحات موضوعية: Spectrophotometry, Infrared, Stereochemistry, Chemistry, Circular Dichroism, 010401 analytical chemistry, Regioselectivity, Infrared spectroscopy, Stereoisomerism, Nuclear magnetic resonance spectroscopy, Naphthalenes, Ezetimibe, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Organic molecules, NMR spectra database, Pyrimidines, Piperidines, Pyrazines, Molecule, Gases, Spectroscopy, Algorithms
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7
المؤلفون: Moritz Thürlemann, Lennard Böselt, Sereina Riniker
المصدر: Journal of Chemical Theory and Computation, 18 (3)
مصطلحات موضوعية: Chemical calculations, Chemical Physics (physics.chem-ph), Physics - Chemical Physics, FOS: Physical sciences, Molecular mechanics, Physical and Theoretical Chemistry, Conformation, Molecules, Molecular structure, Computer Science Applications
وصف الملف: application/application/pdf
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8
المصدر: Current Opinion in Structural Biology, 72
مصطلحات موضوعية: Machine Learning, Range (mathematics), Structural Biology, Computer science, Entropy, Solvation, Complex system, Thermodynamics, Free energies, Statistical physics, Molecular Biology, Energy (signal processing)
وصف الملف: application/application/pdf
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9
المصدر: CHIMIA, Vol 73, Iss 12 (2019)
Chimia, 73 (12)مصطلحات موضوعية: Artificial neural network, Computer science, business.industry, General Medicine, General Chemistry, Molecular dynamics, Molecular systems, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, 0104 chemical sciences, Chemistry, molecular dynamics, Artificial intelligence, Cluster analysis, business, QD1-999, computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4bd0fbbc39a758058d91d39a9c589933
https://pubmed.ncbi.nlm.nih.gov/31883555 -
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المؤلفون: Lennard Böselt, Trixie Wagner, Dominik Sidler, Daniel Zindel, Tobias Kittelmann, Sereina Riniker, Jürgen Stohner
المصدر: Journal of Chemical Information and Modeling, 59 (5)
مصطلحات موضوعية: Models, Molecular, Stereochemistry, General Chemical Engineering, Molecular Conformation, Library and Information Sciences, 01 natural sciences, Spectral line, 0103 physical sciences, Molecule, Spectroscopy, Conformational isomerism, Physics, Quantitative Biology::Biomolecules, 010304 chemical physics, 572: Biochemie, Circular Dichroism, Absolute configuration, Energy landscape, Stereoisomerism, General Chemistry, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, Vibrational circular dichroism, Chirality (chemistry), Algorithm, Algorithms