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1
المؤلفون: Stefan Bietz, Robert Klein, Florian Flachsenberg, Matthias Rarey, Gudrun Lange, Eva Nittinger
المصدر: Journal of Chemical Information and Modeling. 58:1625-1637
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Binding Sites, Protein Conformation, Computer science, General Chemical Engineering, Scale (chemistry), Proteins, Water, General Chemistry, Library and Information Sciences, Ligands, Computer Science Applications, 03 medical and health sciences, 030104 developmental biology, Protein structure, Thermodynamics, Molecule, Water chemistry, Databases, Protein, Representation (mathematics), Biological system, Protein crystallization
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2
المؤلفون: Rainer Fährrolfes, Kai Sommer, Florian Flachsenberg, Mathias M. von Behren, Therese Inhester, Andrea Volkamer, Agnes Meyder, Thomas Otto, Eva Nittinger, Matthias Hilbig, Stefan Bietz, Florian Lauck, Matthias Rarey, Karen T. Schomburg
المصدر: Journal of Biotechnology. 261:207-214
مصطلحات موضوعية: 0301 basic medicine, Computer science, Druggability, Bioengineering, Bioinformatics, computer.software_genre, Applied Microbiology and Biotechnology, 03 medical and health sciences, Structural bioinformatics, Software, Databases, Protein, Internet, Virtual screening, business.industry, Computational Biology, General Medicine, File format, Visualization, 030104 developmental biology, Cheminformatics, Web service, Software engineering, business, computer, Biotechnology
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3
المؤلفون: Matthias Rarey, Robert Klein, Gudrun Lange, Nadine Schneider, Eva Nittinger, Stefan Bietz, Agnes Meyder, Karen T. Schomburg
المصدر: Proteins: Structure, Function, and Bioinformatics. 85:1550-1566
مصطلحات موضوعية: 0301 basic medicine, Chemistry, Hydrogen bond, Point mutation, Protein design, Biochemistry, Enzyme catalysis, 03 medical and health sciences, 030104 developmental biology, Protein structure, Directed mutagenesis, Structural Biology, Computational chemistry, Mutation (genetic algorithm), Side chain, Molecular Biology
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4
المؤلفون: Gudrun Lange, Matthias Rarey, Agnes Meyder, Karen T. Schomburg, Therese Inhester, Robert Klein, Stefan Bietz, Eva Nittinger
المصدر: Journal of Medicinal Chemistry. 60:4245-4257
مصطلحات موضوعية: 0301 basic medicine, Current (mathematics), Expected value, Ligands, 010402 general chemistry, 01 natural sciences, Molecular Docking Simulation, 03 medical and health sciences, Protein structure, Computational chemistry, Drug Discovery, Animals, Humans, Databases, Protein, Computational model, Basis (linear algebra), Hydrogen bond, Chemistry, Proteins, Hydrogen Bonding, 0104 chemical sciences, 030104 developmental biology, Chemical physics, Molecular Medicine, Protein ligand
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5
المؤلفون: Robert Schmidt, Matthias Hilbig, Matthias Rarey, Stefan Bietz, Therese Inhester
المصدر: Journal of Chemical Information and Modeling. 57:148-158
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Time Factors, Protein Conformation, Computer science, General Chemical Engineering, Library and Information Sciences, Ligands, computer.software_genre, Set (abstract data type), 03 medical and health sciences, Data Mining, Structure (mathematical logic), Information retrieval, Proteins, General Chemistry, Computer Science Applications, ComputingMethodologies_PATTERNRECOGNITION, 030104 developmental biology, Index (publishing), Key (cryptography), Design process, Data mining, computer, Algorithms, Protein Binding, Protein ligand
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6
المؤلفون: Stefan Bietz, Matthias Rarey, Mathias M. von Behren, Eva Nittinger
المصدر: Journal of Computer-Aided Molecular Design. 30:583-594
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Computer science, Structural alignment, Ligands, computer.software_genre, Machine learning, 03 medical and health sciences, Search engine, Drug Discovery, Humans, Physical and Theoretical Chemistry, Databases, Protein, Virtual screening, Binding Sites, business.industry, Proteins, computer.file_format, Computer Science Applications, 030104 developmental biology, Ranking, Hit rate, Bitmap, Table (database), Pairwise comparison, Data mining, Artificial intelligence, business, computer, Algorithms, Databases, Chemical, Software
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7
المؤلفون: Matthias Rarey, Stefan Bietz, Rainer Fährrolfes
المصدر: Molecular Informatics. 35:593-598
مصطلحات موضوعية: 0301 basic medicine, Computer science, Protein Data Bank (RCSB PDB), Plasma protein binding, Computational biology, Ligands, computer.software_genre, 03 medical and health sciences, Protein structure, Structural Biology, Drug Discovery, Preprocessor, Binding site, Databases, Protein, Binding Sites, Organic Chemistry, Proteins, computer.file_format, Protein Data Bank, Computer Science Applications, 030104 developmental biology, Fully automated, Docking (molecular), Drug Design, Molecular Medicine, Data mining, computer, Software, Protein Binding
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8
المؤلفون: Matthias Hilbig, Stefan Bietz, Matthias Rarey, Kai Sommer, Nils-Ole Friedrich, Therese Inhester
المصدر: Journal of Chemical Information and Modeling. 56:1105-1111
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Informatics, Unicon, Theoretical computer science, Computer science, General Chemical Engineering, Molecular Conformation, Library and Information Sciences, computer.software_genre, Small Molecule Libraries, 03 medical and health sciences, Software, Isomerism, computer.programming_language, Structure (mathematical logic), business.industry, Programming language, General Chemistry, File format, Computer Science Applications, Task (computing), 030104 developmental biology, Workflow, Cheminformatics, Protons, Line (text file), business, computer
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9
المؤلفون: Mathias M. von Behren, Matthias Rarey, Andrea Volkamer, Stefan Bietz
المصدر: Applied Chemoinformatics
مصطلحات موضوعية: 0301 basic medicine, Protein structure database, 03 medical and health sciences, 030104 developmental biology, 010304 chemical physics, Computer science, 0103 physical sciences, Computational biology, 01 natural sciences
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::84fc286c9537d6cf6a6167b09234c83f
https://doi.org/10.1002/9783527806539.ch6g -
10
المؤلفون: Stefan Bietz, Therese Inhester, Eva Nittinger, Matthias Rarey, Pascal Schmidt, Kai Sommer
المصدر: Journal of chemical information and modeling. 57(9)
مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Geometric analysis, Computer science, Macromolecular Substances, General Chemical Engineering, Molecular Conformation, Nanotechnology, Library and Information Sciences, 01 natural sciences, Set (abstract data type), 03 medical and health sciences, User-Computer Interface, Protein structure, Computer Graphics, Non-covalent interactions, chemistry.chemical_classification, Computational Biology, General Chemistry, computer.file_format, Protein Data Bank, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Variable (computer science), 030104 developmental biology, chemistry, User interface, Biological system, computer, Macromolecule