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المؤلفون: Louis Noodleman, Debra Ann Giammona, Patrick G. Blachly, Donald Bashford, Gregory M. Sandala, J. Andrew McCammon
المصدر: Blachly, PG; Sandala, GM; Giammona, DA; Bashford, D; McCammon, JA; & Noodleman, L. (2015). Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron-Sulfur Enzyme in Pathogenic Bacteria. Inorganic Chemistry, 54(13), 6439-6461. doi: 10.1021/acs.inorgchem.5b00751. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/3h00n5j3
Inorganic Chemistry
Inorganic chemistry, vol 54, iss 13مصطلحات موضوعية: Models, Molecular, Stereochemistry, Iron, Isopentenyl pyrophosphate, Article, Dimethylallyl pyrophosphate, Catalysis, Inorganic Chemistry, chemistry.chemical_compound, Models, Physical and Theoretical Chemistry, chemistry.chemical_classification, Olefin fiber, Birch reduction, Bacteria, Escherichia coli Proteins, Molecular, Metallacycle, Terpenoid, Enzyme, chemistry, Quantum Theory, Inorganic & Nuclear Chemistry, Other Chemical Sciences, Oxidoreductases, Oxidation-Reduction, Sulfur, Physical Chemistry (incl. Structural)
وصف الملف: application/pdf
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المؤلفون: Donald Bashford, Louis Noodleman, Debra Ann Giammona, Wen-Ge Han
المصدر: Inorganic Chemistry. 49:7266-7281
مصطلحات موضوعية: Models, Molecular, Stereochemistry, Iron, Chlamydia trachomatis, medicine.disease_cause, Article, Inorganic Chemistry, Computational chemistry, Catalytic Domain, Ribonucleotide Reductases, medicine, Physical and Theoretical Chemistry, Spectroscopy, Manganese, biology, Chemistry, Spectrum Analysis, Energetics, Active site, Oxidation reduction, Pathogenic bacteria, Ribonucleotide reductase, biology.protein, Quantum Theory, Thermodynamics, Density functional theory, Oxidation-Reduction
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المؤلفون: Debra Ann Giammona, Tiqing Liu, Donald Bashford, Louis Noodleman, Patrick G. Blachly, Gregory M. Sandala, J. Andrew McCammon
المصدر: Journal of chemical theory and computation, vol 10, iss 9
Journal of Chemical Theory and Computation
Blachly, PG; Sandala, GM; Giammona, DA; Liu, T; Bashford, D; McCammon, JA; et al.(2014). Use of broken-symmetry density functional theory to characterize the IspH oxidized state: Implications for IspH mechanism and inhibition. Journal of Chemical Theory and Computation, 10(9), 3871-3884. doi: 10.1021/ct5005214. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/4q62r438مصطلحات موضوعية: Chemical Physics, 010405 organic chemistry, Isoprenoid synthesis, Stereochemistry, Chemistry, Solvation model, Increased drug resistance, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, Article, 0104 chemical sciences, 3. Good health, Computer Science Applications, Catalysis, Computer Software, Mechanism (philosophy), Theoretical and Computational Chemistry, Density functional theory, Symmetry breaking, Biochemistry and Cell Biology, Physical and Theoretical Chemistry, Reaction field
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ff47bc4642b515b3480573963020b62
https://escholarship.org/uc/item/4q62r438 -
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المؤلفون: Gregory A. Petsko, Debra Ann Giammona, Dagmar Ringe, Carla Mattos
المصدر: Biochemistry. 34:3193-3203
مصطلحات موضوعية: Models, Molecular, Protein Conformation, Swine, Stereochemistry, Substituent, Crystal structure, In Vitro Techniques, Crystallography, X-Ray, Biochemistry, Structure-Activity Relationship, chemistry.chemical_compound, Animals, Pancreas, Pancreatic elastase, Binding Sites, Dipeptide, Trifluoromethyl, Molecular Structure, Pancreatic Elastase, biology, Elastase, Active site, Dipeptides, chemistry, biology.protein, Isopropyl
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5de3b0f4e19a609d9740ed18d8d589e
https://doi.org/10.1021/bi00010a008 -
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المصدر: Dalton Transactions. 40:11164
مصطلحات موضوعية: Models, Molecular, Iron, Static Electricity, Inorganic chemistry, Ferric Compounds, Article, Substrate Specificity, Inorganic Chemistry, Spectroscopy, Mossbauer, chemistry.chemical_compound, Catalytic Domain, Ribonucleotide Reductases, Mössbauer spectroscopy, Static electricity, Escherichia coli, Carboxylate, Spectroscopy, biology, Chemistry, Active site, Quadrupole splitting, Protein Subunits, Crystallography, Ribonucleotide reductase, biology.protein, Quantum Theory, Thermodynamics, Density functional theory, Apoproteins
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e67db027843cb2f306ae458ec50f3152
https://doi.org/10.1039/c1dt10950b -
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المؤلفون: Ann Giammona, John W. Brady, Sookhee N. Ha, Martin J. Field
المصدر: Carbohydrate Research. 180:207-221
مصطلحات موضوعية: Aqueous solution, Chemistry, Organic Chemistry, Carbohydrates, Water, Thermodynamics, Hydrogen Bonding, General Medicine, Biochemistry, Molecular mechanics, Force field (chemistry), Analytical Chemistry, Solutions, Nonlinear system, Molecular dynamics, Models, Chemical, Computational chemistry, Potential energy surface, Electrochemistry, Molecule, Computer Simulation, Dynamical simulation
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المؤلفون: Thomas C. Alber, Robert C. Davenport, Gregory K. Farber, D. Ann Giammona, Arthur M. Glasfeld, William D. Horrocks, Masaharu Kanaoka, Elias Lolis, Gregory A. Petsko, Dagmar Ringe, Gerard Tiraby
المصدر: ACS Symposium Series ISBN: 9780841216112
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9e344fd31e9cacaa500cab650be028be
https://doi.org/10.1021/bk-1989-0392.ch004 -
8كتاب إلكتروني
المؤلفون: JAMES D. BURRINGTON, DOUGLAS S. CLARK, Mary L. Good, Paul B. Weisz, Judah Folkman, Thomas C. Alber, Robert C. Davenport, Gregory K. Farber, D. Ann Giammona, Arthur M. Glasfeld, William D. Horrocks, Masaharu Kanaoka, Elias Lolis, Gregory A. Petsko, Dagmar Ringe, Gerard Tiraby, Gilles Klopman, Ruben E. Venegas, Adel M. Naylor, William A. Goddard, J. W. Shield, H. D. Ferguson, K. K. Gleason, T. A. Hatton, Louise Creagh, Paul Skerker, Mark Guinn, John Prausnitz, Harvey Blanch, Richard H. Fish, Raymond H. Fong, Robert T. Price, John B. Vincent, George Christou, Robert DiCosimo, Hsiao-Chiung Szabo, Norman Herron, R. Sipehia, J. Daka, A. S. Chawla, T. M. S. Chang
نوع المادة: eBook.
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