المؤلفون: Wagner, Jeffrey R, Churas, Christopher P, Liu, Shuai, Swift, Robert V, Chiu, Michael, Shao, Chenghua, Feher, Victoria A, Burley, Stephen K, Gilson, Michael K, Amaro, Rommie E

المصدر: Structure. 27(8)

مصطلحات موضوعية: Patient Safety, Bioengineering, Generic health relevance, Binding Sites, Computational Biology, Crystallography, X-Ray, Drug Design, Ligands, Molecular Docking Simulation, Protein Binding, Protein Conformation, Proteins, Structure-Activity Relationship, CELPP, D3R, RCSB PDB, community resource, drug design data resource, drug docking, pose prediction, Biophysics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/69w569vh

المؤلفون: Xianjin Xu, Xiaoqin Zou

المصدر: International Journal of Molecular Sciences, Vol 22, Iss 22, p 12320 (2021)

مصطلحات موضوعية: molecular similarity principle, dissimilar ligand, binding-mode prediction, protein–ligand interactions, drug discovery, CELPP, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1422-0067/22/22/12320; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067

URL الوصول: https://doaj.org/article/2bf7681dd2554fa4ada884b56de0c2d6

المؤلفون: Xiaoqin Zou, Xianjin Xu

المصدر: International Journal of Molecular Sciences
Volume 22
Issue 22
International Journal of Molecular Sciences, Vol 22, Iss 12320, p 12320 (2021)

مصطلحات موضوعية: QH301-705.5, Protein Conformation, Computational biology, Ligands, Catalysis, Article, drug discovery, Inorganic Chemistry, binding-mode prediction, Physical and Theoretical Chemistry, Biology (General), Databases, Protein, Molecular Biology, QD1-999, Spectroscopy, Binding Sites, Chemistry, Drug discovery, Organic Chemistry, Proteins, General Medicine, Computer Science Applications, Molecular Docking Simulation, Template, Drug Design, Crystallization, molecular similarity principle, protein–ligand interactions, dissimilar ligand, Protein Binding, CELPP

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::740455024ee1a8851a96af68687d5cd4

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المؤلفون: Shuai Liu, Michael Chiu, Christopher Churas, Victoria A. Feher, Michael K. Gilson, Rommie E. Amaro, Jeffrey R. Wagner, Stephen K. Burley, Chenghua Shao, Robert V. Swift

المصدر: Structure (London, England : 1993), vol 27, iss 8
Structure

مصطلحات موضوعية: community resource, Protein Conformation, Computer science, Crystal structure, Crystallography, X-Ray, Ligands, computer.software_genre, 01 natural sciences, Docking (dog), Resource (project management), Cyberinfrastructure, Continuous evaluation, Structural Biology, drug design data resource, 0303 health sciences, Crystallography, Drug discovery, 030302 biochemistry & molecular biology, Biological Sciences, 3. Good health, Molecular Docking Simulation, Community resource, Pose prediction, Patient Safety, D3R, Protein Binding, Specific protein, Biophysics, Bioengineering, Machine learning, pose prediction, Article, Unmet needs, RCSB PDB, Structure-Activity Relationship, 03 medical and health sciences, drug docking, Information and Computing Sciences, Molecular Biology, 030304 developmental biology, Binding Sites, Ligand, business.industry, Proteins, Computational Biology, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Workflow, Docking (molecular), Drug Design, Chemical Sciences, X-Ray, Generic health relevance, Artificial intelligence, business, computer, CELPP

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a48a5f96fe164c35d6b0e20187b71f91
https://doi.org/10.1016/j.str.2019.05.012