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1دورية أكاديمية
المؤلفون: Benoit Baillif, Jason Cole, Ilenia Giangreco, Patrick McCabe, Andreas Bender
المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-23 (2023)
مصطلحات موضوعية: Atomistic neural network, Conformer ensemble, Bioactive conformation, Rigid-ligand docking, Maximum common substructure, Information technology, T58.5-58.64, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://doaj.org/toc/1758-2946
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2دورية أكاديمية
المؤلفون: Ilenia Giangreco, Gianluca Lattanzi, Orazio Nicolotti, Marco Catto, Antonio Laghezza, Francesco Leonetti, Angela Stefanachi, Angelo Carotti
المصدر: PLoS ONE, Vol 6, Iss 10, p e25597 (2011)
وصف الملف: electronic resource
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3
المؤلفون: Ilenia Giangreco, Abhik Mukhopadhyay, Jason C. Cole
المصدر: Journal of chemical information and modeling. 61(12)
مصطلحات موضوعية: Structure (mathematical logic), Virtual screening, Computer science, General Chemical Engineering, General Chemistry, Benchmarking, Overlay, Library and Information Sciences, computer.software_genre, chEMBL, Ligands, Field (computer science), Computer Science Applications, Data set, Data mining, UniProt, computer
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4
المؤلفون: Francesca, Stanzione, Ilenia, Giangreco, Jason C, Cole
المصدر: Progress in medicinal chemistry. 60
مصطلحات موضوعية: Molecular Docking Simulation, Structure-Activity Relationship, Protein Conformation, Drug Discovery, Proteins, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::970117c87f6f7fe8834661a80c291bee
https://pubmed.ncbi.nlm.nih.gov/34147204 -
5
المؤلفون: Jason C. Cole, Francesca Stanzione, Ilenia Giangreco
المصدر: Progress in Medicinal Chemistry ISBN: 9780323850568
مصطلحات موضوعية: 010404 medicinal & biomolecular chemistry, Workflow, Human–computer interaction, Docking (molecular), Drug discovery, Computer science, Component (UML), Molecular targets, Protein database, 01 natural sciences, 0104 chemical sciences
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c363fc82e4329da5ebdbb39a3bcb668d
https://doi.org/10.1016/bs.pmch.2021.01.004 -
6
المؤلفون: Jason C. Cole, Elizabeth Thomas, Ilenia Giangreco
المصدر: Crystal Growth & Design. 17:3192-3203
مصطلحات موضوعية: Transformation (function), Database, 010405 organic chemistry, Computer science, General Materials Science, General Chemistry, Crystal structure, 010402 general chemistry, Condensed Matter Physics, computer.software_genre, 01 natural sciences, computer, 0104 chemical sciences
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7
المؤلفون: Jason C. Cole, Ilenia Giangreco, Colin R. Groom
المصدر: Acta Crystallographica. Section D, Structural Biology
مصطلحات موضوعية: 0301 basic medicine, 03 medical and health sciences, 030104 developmental biology, macromolecular crystallography, Structural Biology, scripting, ComputerApplications_COMPUTERSINOTHERSYSTEMS, Cambridge Structural Database, 010402 general chemistry, Research Papers, 01 natural sciences, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences
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8
المصدر: Journal of Medicinal Chemistry. 59:6891-6902
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Theoretical computer science, Molecular Structure, Chemistry, Knowledge Bases, Computational Biology, Proteins, Nanotechnology, computer.file_format, Ligands, Protein Data Bank, Force field (chemistry), Structure-Activity Relationship, 03 medical and health sciences, 030104 developmental biology, Docking (molecular), Informatics, Drug Discovery, Molecular Medicine, Interaction type, Databases, Protein, computer, Algorithms, Protein ligand
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9
المؤلفون: Francesco Leonetti, Ilenia Giangreco, Leonardo Pisani, Angela Stefanachi, Maria Barletta, Orazio Nicolotti, Fulvio Loiodice, Saverio Cellamare, Angelo Carotti, Marco Catto, Paolo Tortorella
المصدر: European Journal of Medicinal Chemistry. 58:368-376
مصطلحات موضوعية: Models, Molecular, Gelatinases, Pyrimidine, Stereochemistry, Matrix metalloproteinase, Crystallography, X-Ray, Structure-Activity Relationship, chemistry.chemical_compound, Drug Discovery, medicine, Humans, Structure–activity relationship, Enzyme Inhibitors, Serum Albumin, Pharmacology, chemistry.chemical_classification, Dose-Response Relationship, Drug, Molecular Structure, Chemistry, Organic Chemistry, Rational design, General Medicine, Enzyme, Matrix Metalloproteinase 9, Drug Design, Barbiturates, Collagenase, Matrix Metalloproteinase 2, Linker, medicine.drug
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10
المؤلفون: Gregory P. Shields, Patrick McCabe, Anthony M. Reilly, Colin R. Groom, Murray G. Read, Jason C. Cole, Ilenia Giangreco
المصدر: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
مصطلحات موضوعية: Similarity (geometry), Chemistry, Metals and Alloys, 02 engineering and technology, Crystal structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, shape searching, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Crystal structure prediction, Crystallography, Intermolecular interaction, Simple (abstract algebra), Materials Chemistry, Crystal Structure Prediction, Statistical physics, 0210 nano-technology, Cambridge Structural Database