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المؤلفون: Shridhar R. Gadre, Subhas J. Chakravorty
المصدر: Resonance. 26:737-755
مصطلحات موضوعية: Algebra, Matrix (mathematics), Itanium, Hewlett packard, Education
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المؤلفون: Hu Li, Hongwei Qi, Brian Donovan, Ming Jiang, Derek D. Poore, Zining Wu, Michael Fischer, Subhas J. Chakravorty, Lawrence Wolfe, Thomas D. Sweitzer, Glenn A. Hofmann
المصدر: SLAS discovery : advancing life sciences RD. 24(2)
مصطلحات موضوعية: 0301 basic medicine, Time Factors, NF-E2-Related Factor 2, High-throughput screening, 01 natural sciences, Biochemistry, Analytical Chemistry, 03 medical and health sciences, chemistry.chemical_compound, Inhibitory Concentration 50, Fluorescence Resonance Energy Transfer, Imidazole, Potency, Humans, Kelch-Like ECH-Associated Protein 1, 010405 organic chemistry, Temperature, Signal transducing adaptor protein, respiratory system, Cullin Proteins, KEAP1, 0104 chemical sciences, High-Throughput Screening Assays, Kinetics, 030104 developmental biology, Förster resonance energy transfer, HEK293 Cells, chemistry, Ubiquitin ligase complex, Biophysics, Molecular Medicine, Time-resolved spectroscopy, Biotechnology, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::23c412b192a8a78edb39df6756b4fcfa
https://pubmed.ncbi.nlm.nih.gov/30383469 -
4Web Enabling Technology for the Design, Enumeration, Optimization and Tracking of Compound Libraries
المؤلفون: Subhas J. Chakravorty, John F. Conway, Bryan Kraker, Bradley P. Feuston, Joseph Forbes, Ralph T. Mosley, J. C. Culberson, Robert P. Sheridan, Georgia B. McGaughey, Craig W. Lindsley, Simon K. Kearsley, Patricia A. Lennon, Mario Valenciano
المصدر: Current Topics in Medicinal Chemistry. 5:773-783
مصطلحات موضوعية: Internet, Databases, Factual, Molecular Structure, business.industry, Computer science, End user, Libraries, Digital, Context (language use), General Medicine, Outsourcing, Identification (information), Backup, Drug Discovery, Laboratory automation, Enumeration, Combinatorial Chemistry Techniques, Computer-Aided Design, Software engineering, business, Simulation, PATH (variable)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c0dde9d7556278dda7b9660871ca381
https://doi.org/10.2174/1568026054637656 -
5
المؤلفون: J. Christopher Culberson, Robert P. Sheridan, Simon K. Kearsley, Bradley P. Feuston, John F. Conway, Subhas J. Chakravorty, Bryan Kraker, Joseph Forbes, Ralph T. Mosley
المصدر: Journal of Chemical Information and Modeling. 45:1439-1446
مصطلحات موضوعية: Library design, Intranet, Chemistry, Interface (Java), General Chemical Engineering, Synthon, General Medicine, General Chemistry, Library and Information Sciences, Combinatorial chemistry, Receptors, G-Protein-Coupled, Computer Science Applications, Reagent, Combinatorial Chemistry Techniques, Indicators and Reagents
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المصدر: International Journal of Quantum Chemistry. 103:649-653
مصطلحات موضوعية: Valence (chemistry), Chemistry, Extrapolation, Methyl radical, Electron, Condensed Matter Physics, Equilibrium geometry, Atomic and Molecular Physics, and Optics, chemistry.chemical_compound, Coupled cluster, Computational chemistry, Harmonic, Physical and Theoretical Chemistry, Atomic physics, Quantum
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المصدر: Journal of Molecular Structure: THEOCHEM. 586:29-34
مصطلحات موضوعية: Harmonic vibration, Coupled cluster, Computational chemistry, Chemistry, Harmonic, Molecule, Physical and Theoretical Chemistry, Atomic physics, Condensed Matter Physics, Equilibrium geometry, Biochemistry, Rotational barrier
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المصدر: International Journal of Quantum Chemistry. 81:238-245
مصطلحات موضوعية: chemistry.chemical_element, Barium, Electronic structure, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Ion, chemistry, Chemical bond, Ab initio quantum chemistry methods, Computational chemistry, Caesium, Atom, Molecule, Physical chemistry, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::36d2ddce7bccf6491137b22215a92094
https://doi.org/10.1002/1097-461x(2001)81:3<238::aid-qua7>3.0.co;2-t -
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المؤلفون: Charles H. Reynolds, Subhas J. Chakravorty
المصدر: Journal of Molecular Graphics and Modelling. 17:315-324
مصطلحات موضوعية: Models, Molecular, Ecdysone, Insecticides, Quantitative Biology::Biomolecules, Chemistry, Ab initio, Computer Graphics and Computer-Aided Design, Molecular physics, Force field (chemistry), Rotational barrier, Hydrazines, Ab initio quantum chemistry methods, Computational chemistry, Materials Chemistry, Perpendicular, Physical and Theoretical Chemistry, Mathematical Computing, Lone pair, Spectroscopy
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المؤلفون: Ernest R. Davidson, Subhas J. Chakravorty, C.E. Brion, Ian E. McCarthy, Y. Zheng, J. Rolke
المصدر: Chemical Physics. 215:191-205
مصطلحات موضوعية: Electron density, Atomic orbital, Chemistry, Hartree–Fock method, General Physics and Astronomy, Position and momentum space, Density functional theory, Electron, Physical and Theoretical Chemistry, Local-density approximation, Atomic physics, Basis set