-
1دورية أكاديمية
المؤلفون: Rajiv Gandhi Govindaraj, Sundar Thangapandian, Michael Schauperl, Rajiah Aldrin Denny, David J. Diller
المصدر: Frontiers in Molecular Biosciences, Vol 9 (2023)
مصطلحات موضوعية: allostery, computational modeling, molecular dynamics, structure-based design, fragment-based screening, Biology (General), QH301-705.5
وصف الملف: electronic resource
العلاقة: https://www.frontiersin.org/articles/10.3389/fmolb.2022.1070328/fullTest; https://doaj.org/toc/2296-889XTest
-
2دورية أكاديمية
المؤلفون: Matthew P. Harrigan, Keri A. McKiernan, Veerabahu Shanmugasundaram, Rajiah Aldrin Denny, Vijay S. Pande
المصدر: Scientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2045-2322Test
-
3
المؤلفون: Michael Schauperl, Rajiah Aldrin Denny
المصدر: Journal of Chemical Information and Modeling. 62:3142-3156
مصطلحات موضوعية: Machine Learning, Protein Conformation, General Chemical Engineering, Drug Discovery, Computational Biology, Humans, Proteins, Neural Networks, Computer, General Chemistry, Library and Information Sciences, Computer Science Applications
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9fd1ec92647fa6bd37d772419b2b4af3Test
https://doi.org/10.1021/acs.jcim.2c00026Test -
4
المؤلفون: Annette N. Chiang, Disha Joshi, Peter Wipf, Mads B. Larsen, Raymond A. Frizzell, Jeffrey L. Brodsky, Clare Hill, Jennifer L. Goeckeler-Fried, Rajiah Aldrin Denny, Eric J. Sorscher
المصدر: Bioorg Med Chem Lett
مصطلحات موضوعية: Protein Folding, Ubiquitin-activating enzyme, Clinical Biochemistry, Pharmaceutical Science, Cystic Fibrosis Transmembrane Conductance Regulator, Endoplasmic-reticulum-associated protein degradation, Protein degradation, Biochemistry, Benzoates, Article, Structure-Activity Relationship, Ubiquitin, Drug Discovery, Humans, Furans, Molecular Biology, Integral membrane protein, biology, Dose-Response Relationship, Drug, Molecular Structure, Chemistry, Organic Chemistry, Ubiquitination, Cystic fibrosis transmembrane conductance regulator, Protein ubiquitination, Cell biology, biology.protein, Molecular Medicine, Pyrazoles, Protein folding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9acacfc386f55a26c851fd71b6ecd340Test
https://pubmed.ncbi.nlm.nih.gov/34246753Test -
5
المؤلفون: Dafydd R. Owen, Aiping Dong, Martin James Wythes, Steven Kennedy, Dalia Barsyte-Lovejoy, Matthieu Schapira, Hong Wu, Rajiah Aldrin Denny, Viacheslav V. Trush, Mihir D. Parikh, Agustin Casimiro-Garcia, Renato Ferreira de Freitas, Masoud Vedadi, Magdalena Swewczyk, Hong Zeng, Tatlock John H, Fengling Li, Alexandria P. Taylor, Robert Arnold Kumpf, Peter Brown, Cheryl H. Arrowsmith
المصدر: Journal of medicinal chemistry. 62(17)
مصطلحات موضوعية: Models, Molecular, S-Adenosylmethionine, Methyltransferase, Lysine, 01 natural sciences, Small Molecule Libraries, 03 medical and health sciences, Structure-Activity Relationship, Drug Discovery, Structure–activity relationship, Humans, Binding site, Enzyme Inhibitors, Enhancer, Cells, Cultured, 030304 developmental biology, Cell Proliferation, chemistry.chemical_classification, 0303 health sciences, Binding Sites, Dose-Response Relationship, Drug, Molecular Structure, Substrate (chemistry), Histone-Lysine N-Methyltransferase, Small molecule, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Enzyme, chemistry, Biochemistry, Molecular Medicine
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e491e646b8409403d237931a50d510f6Test
https://pubmed.ncbi.nlm.nih.gov/31415173Test -
6
المصدر: Journal of Computational Chemistry. 38:1238-1251
مصطلحات موضوعية: 0301 basic medicine, Context (language use), Molecular Dynamics Simulation, Ligands, p38 Mitogen-Activated Protein Kinases, 01 natural sciences, Molecular Docking Simulation, Article, Small Molecule Libraries, Free energy perturbation, 03 medical and health sciences, Molecular dynamics, Computational chemistry, Drug Discovery, 0103 physical sciences, Humans, 010304 chemical physics, Ligand, Drug discovery, Chemistry, General Chemistry, Affinities, DNA-Binding Proteins, Computational Mathematics, 030104 developmental biology, Drug Design, Thermodynamics, Biological system, Energy (signal processing), Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::682dfb7f6e33610da585820943fe0cd0Test
https://doi.org/10.1002/jcc.24522Test -
7
المصدر: Journal of Chemical Information and Modeling. 56:1936-1949
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Quantitative structure–activity relationship, General Chemical Engineering, In silico, Quantitative Structure-Activity Relationship, Computational biology, Library and Information Sciences, Ligands, 010402 general chemistry, Molecular Fingerprint, 01 natural sciences, Machine Learning, Small Molecule Libraries, 03 medical and health sciences, Computational chemistry, Drug Discovery, Aspartic Acid Endopeptidases, Humans, Computer Simulation, Artificial neural network, Chemistry, General Chemistry, Ligand (biochemistry), Affinities, Chemical space, 0104 chemical sciences, Computer Science Applications, 030104 developmental biology, β secretase, Neural Networks, Computer, Amyloid Precursor Protein Secretases
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9155493598f31caf9a6059816533dc8Test
https://doi.org/10.1021/acs.jcim.6b00290Test -
8
المصدر: Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, In silico, Population, Druggability, lcsh:Medicine, Computational biology, Molecular Dynamics Simulation, Article, 03 medical and health sciences, Molecular dynamics, Protein structure, Agammaglobulinaemia Tyrosine Kinase, Humans, Bruton's tyrosine kinase, Computer Simulation, Kinome, lcsh:Science, education, Millisecond, B-Lymphocytes, education.field_of_study, Multidisciplinary, biology, Chemistry, Kinase, lcsh:R, Markov Chains, Kinetics, 030104 developmental biology, Biochemistry, Protein kinase domain, biology.protein, Thermodynamics, lcsh:Q
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85eddf3b4fe61be9136629ffefc49d33Test
https://doi.org/10.1038/s41598-017-10697-0Test -
9
المؤلفون: Keri A. McKiernan, Veerabahu Shanmugasundaram, Rajiah Aldrin Denny, Matthew P. Harrigan, Vijay S. Pande
المصدر: Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Protein Conformation, Science, Intracellular Space, Markov model, 01 natural sciences, Article, Ion, Structure-Activity Relationship, 03 medical and health sciences, Molecular dynamics, Potassium Channels, Tandem Pore Domain, 0103 physical sciences, Humans, 030304 developmental biology, Ions, Physics, 0303 health sciences, Multidisciplinary, 010304 chemical physics, Conductance, Thermal conduction, Markov Chains, 030104 developmental biology, Modulation, Chemical physics, Helix, Biophysics, Medicine, Ion Channel Gating, Intracellular
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e1908b0affdea1e3d57e5b900dd83a9Test
https://doi.org/10.1101/092155Test -
10
المؤلفون: Eddine Saiah, Lori Krim Gavrin, Rajiah Aldrin Denny
المصدر: Bioorganic & Medicinal Chemistry Letters. 23(7):1935-1944
مصطلحات موضوعية: Models, Molecular, Protein Folding, Clinical Biochemistry, Toxic oligomer, Pharmaceutical Science, Chaperone, Gaucher disease, Computational biology, Biochemistry, Cystic fibrosis, Small Molecule Libraries, Biological pathway, Protein Misfolding Diseases, Drug Discovery, Humans, Proteostasis Deficiencies, HSF1, Molecular Biology, biology, Organic Chemistry, Serum amyloid P (SAP), Small molecule, Proteostasis, Chaperone (protein), biology.protein, Thermodynamics, Molecular Medicine, Protein folding, Glucocerebrosidase, Protein misfolding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1f8fdf3086045b7abbcec0b194f6a7dTest