-
1Academic Journal
المؤلفون: Joanna Zarnecka (4483624), Iva Lukac (593803), Stephen J. Messham (10358919), Alhusein Hussin (10358922), Francesco Coppola (10358925), Steven J. Enoch (1507504), Alexander G. Dossetter (1261743), Edward J. Griffen (1261740), Andrew G. Leach (1720261)
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Biotechnology, Developmental Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, DUD-E, shape fingerprint, key-in-lock type, Mapping Ligand-Shape Space, binding-site size, 102 targets, Hand-in-Glove Proteins, shape map, self-organizing map, protein flexibility, Other methods, molecule, physical-property-matched decoys, Distinguishing Key-in-Lock, shape maps, ultrafast shape recognition methods
-
2
المؤلفون: Adrian Liam Gill, Severin K. Thompson, Alexander G. Dossetter, Edward Jolyon Griffen, Andreas Buckl
المصدر: Expert Opinion on Therapeutic Patents. 31:1189-1204
مصطلحات موضوعية: Patent literature, Son of Sevenless, Antineoplastic Agents, Bioinformatics, Patents as Topic, Drug Development, Neoplasms, Drug Discovery, Animals, Humans, Medicine, Pharmacology, biology, business.industry, Drug discovery, Cancer, General Medicine, medicine.disease, Small molecule, Clinical trial, Mutation, ras Proteins, biology.protein, SOS1, Signal transduction, SOS1 Protein, business, Signal Transduction
-
3
المؤلفون: Stephen J. Messham, Andrew G. Leach, Steven J. Enoch, Francesco Coppola, Alhusein Hussin, Joanna Zarnecka, Alexander G. Dossetter, Iva Lukac, Edward Jolyon Griffen
المصدر: Zarnecka, J, Lukac, I, Messham, S J, Hussin, A, Coppola, F, Enoch, S J, Dossetter, A G, Griffen, E J & Leach, A G 2021, ' Mapping Ligand-Shape Space for Protein–Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins ', Journal of Chemical Information and Modeling, vol. 61, no. 4, pp. 1859–1874 . https://doi.org/10.1021/acs.jcim.1c00089
مصطلحات موضوعية: Physics, Binding Sites, Record locking, 010304 chemical physics, Protein Conformation, General Chemical Engineering, Molecular Conformation, Proteins, General Chemistry, Library and Information Sciences, Type (model theory), Ligands, Ligand (biochemistry), 01 natural sciences, 0104 chemical sciences, Computer Science Applications, Set (abstract data type), 010404 medicinal & biomolecular chemistry, Molecular geometry, 0103 physical sciences, Key (cryptography), Molecule, Biological system, Algorithms, Protein ligand
وصف الملف: application/pdf
-
4
المصدر: The Medicinal Chemist's Guide to Solving ADMET Challenges ISBN: 9781788012270
مصطلحات موضوعية: Drug, Cytochrome, biology, Chemistry, media_common.quotation_subject, Endogeny, SUPERFAMILY, Metabolism, Pharmacology, Inhibitory postsynaptic potential, digestive system, biology.protein, Drug metabolism, media_common
-
5
المصدر: Griffen, E J, Dossetter, A G & Leach, A G 2020, ' Chemists: AI Is Here; Unite To Get the Benefits ', Journal of Medicinal Chemistry . https://doi.org/10.1021/acs.jmedchem.0c00163
مصطلحات موضوعية: 0303 health sciences, Chemistry, Management science, Chemistry, Pharmaceutical, Quantitative Structure-Activity Relationship, 01 natural sciences, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Computational Chemistry, Artificial Intelligence, Drug Discovery, Molecular Medicine, Humans, Interdisciplinary communication, Cooperative behavior, Chemistry (relationship), Cooperative Behavior, 030304 developmental biology
وصف الملف: application/pdf
-
6
المصدر: Griffen, E J, Dossetter, A G, Leach, A G & Montague, S 2018, ' Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence? ', Drug discovery today, vol. 23, no. 7, pp. 1373-1384 . https://doi.org/10.1016/j.drudis.2018.03.011
مصطلحات موضوعية: QA75, 0301 basic medicine, RM, Chemistry, Pharmaceutical, Big data, Intellectual property, Chemist, Task (project management), Structure-Activity Relationship, 03 medical and health sciences, Artificial Intelligence, Drug Discovery, Animals, Data Mining, Humans, Chemistry (relationship), Set (psychology), Pharmacology, Molecular Structure, business.industry, Drug discovery, High-Throughput Screening Assays, Knowledge sharing, 030104 developmental biology, Pharmaceutical Preparations, Artificial intelligence, business, Databases, Chemical
وصف الملف: application/pdf
-
7
المؤلفون: Dennis Norman, Helen E. Colley, Munitta Muthana, Lynne Williams, Joanne Harrison, Sean F. Coole, Mark J. Thompson, Edward Jolyon Griffen, Matthew L. Brett, Sarah Danson, Vamshi Tulasi, Lucinda V. Jackson, Peter Lockey, Melanie Wong, Daniel P. Mason, Luke Jennings, Alexander G. Dossetter
المصدر: Journal of Medicinal Chemistry. 58:9309-9333
مصطلحات موضوعية: Male, Indoles, Mice, Nude, Antineoplastic Agents, Microtubules, Mice, Structure-Activity Relationship, Tubulin, Microtubule, Drug Discovery, Animals, Humans, Cytotoxic T cell, Structure–activity relationship, Cell Proliferation, biology, Tubulin Modulators, Cell growth, Chemistry, Molecular biology, Head and Neck Neoplasms, Caco-2, Cell culture, Cancer research, biology.protein, Heterografts, Molecular Medicine, Caco-2 Cells, Drug Screening Assays, Antitumor, Neoplasm Transplantation
-
8
المؤلفون: Alexander G. Dossetter, John G. Swales, Christopher D. Davies, James S. Scott, Scott Boyd, Frederick W. Goldberg, Graeme R. Robb, Paul D. Kemmitt
المصدر: MedChemComm. 6:926-934
مصطلحات موضوعية: Pharmacology, chemistry.chemical_classification, Stereochemistry, Chemistry, Organic Chemistry, Pharmaceutical Science, Dehydrogenase, Biochemistry, Combinatorial chemistry, Acceptor, 11β hsd1 inhibitors, Cns penetration, Enzyme, Oxidoreductase, Drug Discovery, Molecular Medicine
-
9
المؤلفون: Suzanne S. Bowker, Clive Green, Graeme R. Robb, Stephen Stokes, Nathaniel G. Martin, Anne Ertan, David G.A. Morgan, Christopher Sheldon, Alexander G. Dossetter, Robert D. M. Davies, David S. Clarke, Alastair J. H. Brown, William McCoull, Helen Pointon, Jane E. Moore, Mark L. Fenwick, Nicholas John Newcombe, Claire Newton, Jane L. Holmes, David J. Masters, Peter Barton, Jennifer Cameron
المصدر: Journal of Medicinal Chemistry. 57:6128-6140
مصطلحات موضوعية: Models, Molecular, medicine.medical_specialty, Drug Inverse Agonism, High-throughput screening, Pharmacology, Partial agonist, Structure-Activity Relationship, chemistry.chemical_compound, Internal medicine, Drug Discovery, medicine, Humans, Urea, Inverse agonist, Structure–activity relationship, Receptors, Ghrelin, Receptor, Dose-Response Relationship, Drug, Molecular Structure, digestive, oral, and skin physiology, Endocrinology, chemistry, Molecular Medicine, Ghrelin, Penetrant (biochemical), hormones, hormone substitutes, and hormone antagonists
-
10
المؤلفون: Frederick W. Goldberg, Andrew V. Turnbull, Joanne deSchoolmeester, Martin Wild, Graeme R. Robb, Paul D. Kemmitt, James S. Scott, Scott Boyd, John G. Swales, Tove Sjögren, Pablo Morentin Gutierrez, Sam D. Groombridge, Alexander G. Dossetter
المصدر: Journal of Medicinal Chemistry. 57:970-986
مصطلحات موضوعية: Blood Glucose, Cyclopropanes, Male, Models, Molecular, medicine.medical_treatment, Central nervous system, Mice, Obese, Adamantane, Pharmacology, Crystallography, X-Ray, Mice, Structure-Activity Relationship, In vivo, Diabetes mellitus, 11-beta-Hydroxysteroid Dehydrogenase Type 1, Drug Discovery, medicine, Animals, Humans, Hypoglycemic Agents, Insulin, Potency, Structure–activity relationship, Metabolic Syndrome, Chemistry, Body Weight, Brain, Stereoisomerism, medicine.disease, Dietary Fats, Rats, Isoenzymes, Mice, Inbred C57BL, Thiazoles, medicine.anatomical_structure, Diabetes Mellitus, Type 2, Liver, Pyrazoles, Molecular Medicine, Metabolic syndrome, Diet-induced obese
-
11
المصدر: Drug Discovery Today. 18:724-731
مصطلحات موضوعية: Pharmacology, Molecular Structure, Computer science, Process (engineering), Drug discovery, Matched-Pair Analysis, computer.software_genre, Yield design, Structure-Activity Relationship, Drug Design, Drug Discovery, Animals, Humans, Data mining, Matched molecular pair analysis, computer
-
12
المؤلفون: Andrew G. Leach, Iva Lukac, Alexander G. Dossetter, Joanna Zarnecka, Edward Jolyon Griffen
مصطلحات موضوعية: Cheminformatics, Drug discovery, Chemistry, Computational biology, Matched molecular pair analysis, Combinatorial chemistry
-
13
المؤلفون: Stephan Krapp, James J. Crawford, Lyn Rosenbrier Ribeiro, Andrew David Morley, Jonathan E. Finlayson, Calum Cook, Caroline Smith, Jonathan Bowyer, Anja Jestel, Julian A. Hudson, Stefan Steinbacher, Benjamin P. McDermott, Thomas M. McGuire, Adrian John Highton, Alexander G. Dossetter, Ken Page, Peter W. Kenny, Morris Jeffrey James, Christine Heyes, Philip A. MacFaul, Helen Sawney, Scott W. Martin
المصدر: Journal of Medicinal Chemistry. 55:8827-8837
مصطلحات موضوعية: Male, Models, Molecular, Indazoles, Stereochemistry, Metabolite, Cathepsin K, education, Stereoisomerism, Structure-Activity Relationship, chemistry.chemical_compound, Pharmacokinetics, Cyclohexanes, Drug Discovery, Animals, Humans, Structure–activity relationship, Rats, Wistar, Cells, Cultured, Indazole, Blood Proteins, Metabolic stability, humanities, Rats, chemistry, Drug Design, Hepatocytes, Molecular Medicine, Selectivity, Protein Binding
-
14
المؤلفون: Christine Marie Paul Lambert, Alan Girdwood, Andrew G. Leach, Catherine Bardelle, Andrew P. Garner, Helen Plant, J. S. Major, Brian Law, Dave Buttar, Kevin Blades, Louise Chapman, Nicola Colclough, Joanne V. Allen, Anthony M. Slater, Alexander G. Dossetter
المصدر: Bioorganic & Medicinal Chemistry Letters. 21:5224-5229
مصطلحات موضوعية: Models, Molecular, C-Met, Molecular model, Clinical Biochemistry, Pharmaceutical Science, Crystallography, X-Ray, Biochemistry, Structure-Activity Relationship, chemistry.chemical_compound, Drug Discovery, Anilides, Secondary metabolism, Protein Kinase Inhibitors, Molecular Biology, Ligand efficiency, Dose-Response Relationship, Drug, Molecular Structure, Chemistry, Kinase, Organic Chemistry, Binding potential, Stereoisomerism, Proto-Oncogene Proteins c-met, C-Met Receptor Tyrosine Kinase, In vitro, Molecular Medicine
-
15
المؤلفون: Maryannick Lamorlette, Kevin Michael Foote, Benedicte Delouvrie, Pascal Boutron, Urs Hancox, Alexander G. Dossetter, Mike Hutton, Annie Hamon, Jean Claude Arnould, Craig S. Harris, Zbigniew Stanley Matusiak
المصدر: Bioorganic & Medicinal Chemistry Letters. 17:6448-6454
مصطلحات موضوعية: medicine.drug_class, Stereochemistry, Clinical Biochemistry, Pharmaceutical Science, Carboxamide, Thiophenes, Biochemistry, Chemical synthesis, Structure-Activity Relationship, Drug Discovery, medicine, Animals, Humans, Potency, Pyrroles, Receptor, Molecular Biology, Gnrh receptor, Chemistry, Organic Chemistry, Antagonist, Small molecule, In vitro, Rats, Molecular Medicine, Receptors, LHRH
-
16
المؤلفون: Alexander G. Dossetter, Helen Pointon, Mark L. Fenwick, Gary Wilkinson, Sam D. Groombridge, David G.A. Morgan, Graeme R. Robb, Susan J. G. Loxham, David Baker, Stuart Norman Lile Bennett, Michael J. Waring, Jenny Morrell, Rob Garcia, Philip A. MacFaul, Jennie Georgsson, David M. Smith, Katie G. Maskill, Stephen Stokes
مصطلحات موضوعية: Pharmacology, endocrine system, Chemistry, Stereochemistry, Organic Chemistry, Pharmaceutical Science, Biochemistry, Combinatorial chemistry, In vivo, Free fatty acid receptor 1, Drug Discovery, Lipophilicity, Molecular Medicine, Potency, QD, Antagonism
وصف الملف: application/pdf
-
17
المؤلفون: Eric N. Jacobsen, Alexander G. Dossetter, Timothy F. Jamison
المصدر: Angewandte Chemie. 111:2549-2552
مصطلحات موضوعية: Chemistry, General Medicine
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::31a7b1f9323e372ca681c80bd8d2962a
https://doi.org/10.1002/(sici)1521-3757(19990816)111:16<2549::aid-ange2549>3.0.co;2-h -
18
المصدر: Chemical communications (Cambridge, England). 49(82)
مصطلحات موضوعية: chemistry.chemical_classification, Free Radicals, Molecular Structure, Radical, Aryl, Metals and Alloys, Sulfonium Compounds, Stereoisomerism, General Chemistry, Crystallography, X-Ray, Medicinal chemistry, Catalysis, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, chemistry, Intramolecular force, Materials Chemistry, Ceramics and Composites, Organic chemistry, Imines, Amines, Alkyl
-
19
المصدر: Tetrahedron Letters. 37:5605-5608
مصطلحات موضوعية: chemistry.chemical_classification, Ketone, Bicyclic molecule, Stereochemistry, Organic Chemistry, Sesquiterpene, Biochemistry, chemistry.chemical_compound, chemistry, Ylide, Drug Discovery, Stereoselectivity, Oxonium ion, Neoliacinic acid
-
20
المؤلفون: Ken Page, Peter W. Kenny, Morris Jeffrey James, Stephan Krapp, Christine Heyes, Calum Cook, Helen Sawney, Lyn Rosenbrier Ribeiro, Andrew David Morley, Jonathan Bowyer, Adrian John Highton, Julian A. Hudson, Stefan Steinbacher, Anja Jestel, Scott W. Martin, Madeleine Vickers, Thomas M. McGuire, Philip A. MacFaul, Alexander G. Dossetter, Jonathan E. Finlayson, Nicola Murdoch Heron, Pablo Morentin Gutierrez, Howard H Beeley, James J. Crawford, Caroline Smith
المصدر: Journal of medicinal chemistry. 55(14)
مصطلحات موضوعية: Male, Models, Molecular, Indoles, Nitrile, Stereochemistry, Protein Conformation, Cathepsin K, Substrate Specificity, chemistry.chemical_compound, Inhibitory Concentration 50, Protein structure, Dogs, Pharmacokinetics, Drug Discovery, Osteoarthritis, Animals, Humans, Protease Inhibitors, Indole test, In vitro, Rats, chemistry, Lipophilicity, Microsome, Molecular Medicine, Carbolines