المؤلفون: Michael Grigalunas, Annina Burhop, Sarah Zinken, Axel Pahl, José-Manuel Gally, Niklas Wild, Yannik Mantel, Sonja Sievers, Daniel J. Foley, Rebecca Scheel, Carsten Strohmann, Andrey P. Antonchick, Herbert Waldmann

المصدر: Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/c324981d1dd847a2877255197701b2a3

المؤلفون: Herbert Waldmann, Andrey P. Antonchick, Niklas Wild, Sonja Sievers, José-Manuel Gally, Carsten Strohmann, Axel Pahl, Yannik Mantel, Sarah Zinken, Michael Grigalunas, Daniel J. Foley, Rebecca Scheel, Annina Burhop

المصدر: Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Nature Communications

مصطلحات موضوعية: Indoles, Science, Chemical libraries, General Physics and Astronomy, Computational biology, 010402 general chemistry, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, Natural (archaeology), Article, Griseofulvin, Small Molecule Libraries, chemistry.chemical_compound, Fragment (logic), Drug Discovery, Chemical synthesis, Biological evaluation, Biological Products, Multidisciplinary, Natural product, Product design, Quinine, 010405 organic chemistry, Cheminformatics, General Chemistry, Quinidine, Chemical space, humanities, 0104 chemical sciences, chemistry, Morphinans, Chromones, Product (mathematics), Identification (biology)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::956383e93ab0b9c316a0e7f4df8f0597
https://doaj.org/article/c324981d1dd847a2877255197701b2a3

المؤلفون: José-Manuel Gally, Axel Pahl, Herbert Waldmann

المصدر: Arkivoc. 2021:89-104

مصطلحات موضوعية: Painting, medicine.anatomical_structure, Biochemistry, Chemistry, Organic Chemistry, Cell, medicine, Natural (archaeology)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::51c20c1249c59077e64cf86fb0f46bc8
https://doi.org/10.24820/ark.5550190.p011.348

المؤلفون: Axel Pahl, José-Manuel Gally, Herbert Waldmann, Paul Czodrowski

المصدر: Journal of Chemical Information and Modeling

مصطلحات موضوعية: Biological Products, Source code, Databases, Factual, Computer science, Programming language, General Chemical Engineering, media_common.quotation_subject, General Chemistry, Library and Information Sciences, Python (programming language), computer.software_genre, Article, Computer Science Applications, Small Molecule Libraries, Fragment (logic), computer, Algorithms, Software, media_common, computer.programming_language

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9f3810bbbfac8b21e85a2b4bbf10a44
https://pubmed.ncbi.nlm.nih.gov/34669418

المؤلفون: Paul Czodrowski, Axel Pahl, José-Manuel Gally, Herbert Waldmann

مصطلحات موضوعية: Fragment (logic), Computer science, Context (language use), chEMBL, Biological system, Small molecule, Graph

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ab398da02e6e44321576e52902739d2
https://doi.org/10.26434/chemrxiv-2021-wmwrq

المؤلفون: Jade Fogha, Stéphane Bourg, José-Manuel Gally, Pascal Bonnet, Quoc-Tuan Do, Samia Aci-Sèche

المساهمون: Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Institut National de la Santé et de la Recherche Médicale (INSERM), Greenpharma S.A.S. [Orléans], Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut National de la Santé et de la Recherche Médicale (INSERM), Institut Gilbert-Laustriat : Biomolécules, Biotechnologie, Innovation Thérapeutique, Université Louis Pasteur - Strasbourg I-Centre National de la Recherche Scientifique (CNRS), Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Département Environnements et Sociétés (Cirad-ES), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)

المصدر: Current Medicinal Chemistry
Current Medicinal Chemistry, Bentham Science Publishers, 2019, 26, ⟨10.2174/0929867326666190614160451⟩
Current Medicinal Chemistry, 2020, 27 (38), pp.6480-6494. ⟨10.2174/0929867326666190614160451⟩

مصطلحات موضوعية: 0301 basic medicine, Computer science, Nearest neighbor search, computer.software_genre, 01 natural sciences, Biochemistry, Workflow, 03 medical and health sciences, Molecular descriptor, Drug Discovery, Computer Simulation, ComputingMilieux_MISCELLANEOUS, Pharmacology, Virtual screening, Drug discovery, Organic Chemistry, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Docking (molecular), Cheminformatics, Drug Design, Molecular Medicine, Data mining, Pharmacophore, computer, Databases, Chemical, [CHIM.CHEM]Chemical Sciences/Cheminformatics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d35f6d7b153761667c1e9c7647880e6
https://hal.archives-ouvertes.fr/hal-02387324

المؤلفون: Hassan Allouchi, José Manuel Gally, Gérald Guillaumet, Mohsine Driowya, Pascal Bonnet

المساهمون: Institut de Chimie Organique et Analytique (ICOA), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Institut National de la Santé et de la Recherche Médicale (INSERM), Infectiologie et Santé Publique (UMR ISP), Institut National de la Recherche Agronomique (INRA)-Université de Tours (UT), Region Centre-Val de Loire, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut National de la Recherche Agronomique (INRA)-Université de Tours

المصدر: New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2018, 42 (8), pp.5728-5741. ⟨10.1039/c7nj05088g⟩
New Journal of Chemistry, 2018, 42 (8), pp.5728-5741. ⟨10.1039/c7nj05088g⟩

مصطلحات موضوعية: chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Chloride, Catalysis, tautomeric structure, chemistry.chemical_compound, Acid catalyzed, inhibitors, Materials Chemistry, medicine, [CHIM.CRIS]Chemical Sciences/Cristallography, Organic chemistry, Methylene, chemotaxis, phase synthesis, excited-states, Zirconium, 010405 organic chemistry, Component (thermodynamics), multicomponent reactions, neutrophil, General Chemistry, 0104 chemical sciences, Chemistry, chemistry, derivatives, androgen receptor modulators, discovery, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e01d3d9273d195783d2b4a9c665b8fe3
https://hal.inrae.fr/hal-02620165

المؤلفون: José-Manuel Gally, Samia Aci-Sèche, Quoc-Tuan Do, Pascal Bonnet, Stéphane Bourg

المساهمون: Institut de Chimie Organique et Analytique (ICOA), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Greenpharma S.A.S. [Orléans], Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Institut National de la Santé et de la Recherche Médicale (INSERM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

المصدر: Molecular Informatics
Molecular Informatics, 2017, 36 (10), pp.1700023. ⟨10.1002/minf.201700023⟩
Molecular Informatics, Wiley-VCH, 2017, 36 (10), pp.1700023. ⟨10.1002/minf.201700023⟩

مصطلحات موضوعية: 0301 basic medicine, Library design, Computer science, computer.software_genre, 01 natural sciences, Workflow, Small Molecule Libraries, 03 medical and health sciences, User-Computer Interface, Structural Biology, Drug Discovery, ComputingMilieux_MISCELLANEOUS, Virtual screening, Information retrieval, Database, Organic Chemistry, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Molecular Databases, Docking (molecular), Cheminformatics, Molecular Medicine, Pharmacophore, computer, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Databases, Chemical

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b898af55ebcc9e129e07197bffaef84d
https://pubmed.ncbi.nlm.nih.gov/28586180