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1Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis
المؤلفون: Thomas B. Adler, Alexander V. Statsyuk, Theresa Klemm, Stefan G. Kathman, Yesid A. Ramirez, Christoph A. Sotriffer, Eva Altmann, Caroline Kisker, Florian Sauer, Christian Tiesmeyer
المصدر: ChemMedChem. 13(19)
مصطلحات موضوعية: 0301 basic medicine, Adenain, Stereochemistry, medicine.medical_treatment, Chlamydia trachomatis, Saccharomyces cerevisiae, medicine.disease_cause, Biochemistry, Article, Substrate Specificity, Fungal Proteins, 03 medical and health sciences, Ubiquitin, Catalytic Domain, Drug Discovery, Hydrolase, medicine, Humans, Amino Acid Sequence, General Pharmacology, Toxicology and Pharmaceutics, Enzyme Inhibitors, Pharmacology, chemistry.chemical_classification, Protease, 030102 biochemistry & molecular biology, biology, Deubiquitinating Enzymes, Organic Chemistry, Molecular Docking Simulation, Cysteine Endopeptidases, 030104 developmental biology, Enzyme, Pyrimidines, chemistry, Docking (molecular), Covalent bond, biology.protein, Molecular Medicine, Oligopeptides, Sequence Alignment
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2
المؤلفون: Marcus Fischer, Michael K. Gilson, Brian K. Shoichet, Reed M. Stein, Crystal N. Nguyen, Anthony Cruz, Trent E. Balius, Tom Kurtzman, Thomas B. Adler
المصدر: Proceedings of the National Academy of Sciences. 114
مصطلحات موضوعية: Protein Conformation, Crystallography, X-Ray, Ligands, 010402 general chemistry, 01 natural sciences, Molecular Docking Simulation, Protein structure, Computational chemistry, 0103 physical sciences, Molecule, Binding Sites, Multidisciplinary, Molecular Structure, 010304 chemical physics, GiST, Ligand, Chemistry, Solvation, Computational Biology, Water, digestive system diseases, 0104 chemical sciences, Solutions, Kinetics, Crystallography, PNAS Plus, Docking (molecular), Solvents, Thermodynamics, Structure based, Algorithms, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84945dd8e6e5e9a2d3fea3c533ebc569
https://doi.org/10.1073/pnas.1703287114 -
3
المؤلفون: Theresa Klemm, Florian Sauer, Yesid A. Ramirez, Thomas B. Adler, Stefan G. Kathman, Alexander V. Statsyuk, Caroline Kisker, Eva Altmann, Christian Tiesmeyer, Christoph A. Sotriffer
المصدر: ChemMedChem. 13:2012-2012
مصطلحات موضوعية: Pharmacology, Chemistry, Stereochemistry, Organic Chemistry, Substrate recognition, medicine.disease_cause, Biochemistry, Front cover, Covalent bond, Drug Discovery, medicine, Molecular Medicine, General Pharmacology, Toxicology and Pharmaceutics, Chlamydia trachomatis
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4
المؤلفون: Gerald Knizia, Thomas B. Adler, Oliver Marchetti, Hans-Joachim Werner
المصدر: Zeitschrift für Physikalische Chemie. 224:493-511
مصطلحات موضوعية: Physics, Coupled cluster, Quantum electrodynamics, Perturbation (astronomy), Statistical physics, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0dd17b13f1f32677a05399a462aa8e49
https://doi.org/10.1524/zpch.2010.6120 -
5
المؤلفون: Thomas B. Adler, Hans-Joachim Werner
المصدر: The Journal of chemical physics. 135(14)
مصطلحات موضوعية: Physics, Approximation theory, Coupled cluster, Quantum mechanics, General Physics and Astronomy, Molecule, Perturbation theory (quantum mechanics), Limit (mathematics), Physical and Theoretical Chemistry, Scaling, Basis set, Domain (mathematical analysis)
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6
المؤلفون: Yu Liu, Daniel Kats, Thomas B. Adler, Tatiana Korona, Martin Schütz, Hans-Joachim Werner
المصدر: Challenges and Advances in Computational Chemistry and Physics ISBN: 9789048128525
مصطلحات موضوعية: Physics, Coupled cluster, Electronic correlation, Basis (linear algebra), Quantum mechanics, Excited state, Physics::Atomic and Molecular Clusters, Ab initio, Linear scale, CPU time, Statistical physics, Electron, Physics::Chemical Physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b3773e5da24eb4944a33a9cb22c59fc2
https://doi.org/10.1007/978-90-481-2853-2_14 -
7
المصدر: Challenges and Advances in Computational Chemistry and Physics ISBN: 9789048128846
مصطلحات موضوعية: Mathematical optimization, Coupled cluster, Basis (linear algebra), Intermolecular force, Benchmark (computing), Statistical physics, Perturbation theory, Focus (optics), Mathematics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c87b52cc250e0bb1db413e1b86f8b06d
https://doi.org/10.1007/978-90-481-2885-3_21 -
8
المؤلفون: Hans-Joachim Werner, Gerald Knizia, Thomas B. Adler, Oliver Marchetti
المصدر: Progress in Physical Chemistry Volume 3 ISBN: 9783486598278
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d7be95e24e06141bc38c4ce74d3785e2
https://doi.org/10.1524/9783486711639.203 -
9
المؤلفون: Hans-Joachim Werner, Thomas B. Adler, Gerald Knizia
المصدر: The Journal of chemical physics. 130(5)
مصطلحات موضوعية: Basis (linear algebra), Chemistry, General Physics and Astronomy, Computational physics, Bond length, Quality (physics), Ionization, Convergence (routing), Physics::Atomic and Molecular Clusters, Harmonic, Benchmark (computing), Physical and Theoretical Chemistry, Atomic physics, Basis set
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10
المؤلفون: Marcus Weimann, C. Steinbach, Udo Buck, Nicole Borho, Michal Fárník, Thomas B. Adler, Martin A. Suhm
المصدر: Physical chemistry chemical physics : PCCP. 8(10)
مصطلحات موضوعية: Quantitative Biology::Biomolecules, 010405 organic chemistry, Hydrogen bond, Chemistry, Analytical chemistry, General Physics and Astronomy, Trimer, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Crystallography, Enantiopure drug, Tetramer, Physics::Atomic and Molecular Clusters, Mass spectrum, Physical and Theoretical Chemistry, Enantiomer, Spectroscopy, Electron ionization
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::261046e5dea74fc3a10693d1aa700d22
https://pubmed.ncbi.nlm.nih.gov/16633595