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1
المؤلفون: Ping Ye, Jifeng Liu, Daniel Yohannes, Mark A. Ashwell, Andrew Smellie, Shi-Chung Ng, Chris Wilson, Craig M. Thompsons, Ying Si
المصدر: SLAS Discovery. 11:21-28
مصطلحات موضوعية: Paclitaxel, Mitosis, Biology, Biochemistry, Analytical Chemistry, chemistry.chemical_compound, Tubulin, Cell Line, Tumor, Tumor Cells, Cultured, medicine, Humans, DAPI, Cell Proliferation, Cell growth, Molecular biology, Small molecule, Chromatin, Cell biology, Vinblastine, chemistry, Research Design, Cell culture, High-content screening, Quinazolines, biology.protein, Molecular Medicine, Biological Assay, Drug Screening Assays, Antitumor, DNA, Biotechnology, medicine.drug
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83f5d0dfbb4a80aa4fe3d19d76f8d926
https://doi.org/10.1177/1087057105280726 -
2
المؤلفون: Steven L. Teig, Robert V. Stanton, Randy Henne, Andrew Smellie
المصدر: Journal of Computational Chemistry. 24:10-20
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Virtual screening, General Chemistry, Conformational entropy, Space (mathematics), Topology, Small molecule, Combinatorics, Computational Mathematics, Intersection, Path (graph theory), Node (circuits), Conformational isomerism, Mathematics
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3
المؤلفون: and Andrew Smellie, Doug Barnum, Jonathan W. Greene, Peter Sprague
المصدر: Journal of Chemical Information and Computer Sciences. 36:563-571
مصطلحات موضوعية: Models, Molecular, Molecular Structure, Stereochemistry, Computer science, Molecular Conformation, HIV Protease Inhibitors, General Chemistry, Computational biology, Reverse transcriptase, LigandScout, Computer Science Applications, Set (abstract data type), Computational Theory and Mathematics, HIV-1, Reverse Transcriptase Inhibitors, HIV Protease Inhibitor, Molecule, Identification (biology), Platelet Activating Factor, Algorithms, Information Systems
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53bf9a63a29f48853d7353e99b79ec99
https://doi.org/10.1021/ci950273r -
4
المؤلفون: Scott D. Kahn, Steven Teig, Andrew Smellie
المصدر: Journal of Chemical Information and Computer Sciences. 35:295-304
مصطلحات موضوعية: Computational Theory and Mathematics, Chemistry, General Chemistry, Computer Science Applications, Information Systems
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ad4ed97e8aad68c6559fa3179ab4e528
https://doi.org/10.1021/ci00024a019 -
5
المؤلفون: Scott D. Kahn, Andrew Smellie, Steven Teig
المصدر: Journal of Chemical Information and Computer Sciences. 35:285-294
مصطلحات موضوعية: Estimation, Computational Theory and Mathematics, Computer science, General Chemistry, Algorithm, Computer Science Applications, Information Systems
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c8483775c13f28648b374e04260ea746
https://doi.org/10.1021/ci00024a018 -
6
المؤلفون: Gordon M. Crippen, Wendy W. Richardson, Andrew Smellie
المصدر: Journal of Computational Chemistry. 13:1262-1274
مصطلحات موضوعية: Coordinate system, Mathematical analysis, Geometry, General Chemistry, law.invention, Bond length, Computational Mathematics, Matrix (mathematics), law, Linearization, Metric (mathematics), Embedding, Cartesian coordinate system, Matrix calculus, Mathematics
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7
المؤلفون: Andrew Smellie
المصدر: Journal of chemical information and modeling. 49(2)
مصطلحات موضوعية: Binary tree, Database, Computer science, General Chemical Engineering, Search engine indexing, Binary number, General Chemistry, Library and Information Sciences, Bit array, computer.software_genre, Data structure, Computer Science Applications, Succinct data structure, Bit (horse), Similarity (network science), computer
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8
المؤلفون: Andrew Smellie
المصدر: ChemInform. 38
مصطلحات موضوعية: Computer science, General Chemical Engineering, Molecular Sequence Data, Library and Information Sciences, Machine learning, computer.software_genre, Structure-Activity Relationship, Simple (abstract algebra), Information system, Computer Simulation, Structure (mathematical logic), Cyclooxygenase 2 Inhibitors, business.industry, Chemistry, Interpretation (philosophy), General Chemistry, General Medicine, Data science, Computer Science Applications, General purpose, Fully automated, Drug Design, Artificial intelligence, business, computer, Software, Information Systems
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9
المؤلفون: Shi Chung Ng, Chris Wilson, Andrew Smellie
المصدر: Journal of chemical information and modeling. 46(1)
مصطلحات موضوعية: Indoles, Computer science, General Chemical Engineering, Mitosis, Image processing, Antineoplastic Agents, Library and Information Sciences, Mitotic arrest, Cell Line, Tumor, Neoplasms, Image Processing, Computer-Assisted, Humans, Computer vision, Interpretation (logic), business.industry, Pattern recognition, General Chemistry, Computer Science Applications, Visualization, Identification (information), High-content screening, Artificial intelligence, Drug Screening Assays, Antitumor, business, After treatment, Visual methods
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10
المؤلفون: Anton V. Filikov, David Hartsough, Andrew Smellie, Sukjoon Yoon
المصدر: Proteins. 59(3)
مصطلحات موضوعية: Protein Conformation, Riboflavin, Molecular Conformation, Plasma protein binding, Computational biology, Biology, Ligands, Biochemistry, Homology (biology), User-Computer Interface, Protein structure, Structural Biology, Binding site, Databases, Protein, Molecular Biology, Binding Sites, Estradiol, Cyclin-Dependent Kinase 2, Phosphotransferases, Computational Biology, Proteins, Affinities, Combinatorial chemistry, Tamoxifen, Docking (molecular), Target protein, Molecular probe, Algorithms, Protein Binding