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1دورية أكاديمية
المؤلفون: Wych, David C, Aoto, Phillip C, Vu, Lily, Wolff, Alexander M, Mobley, David L, Fraser, James S, Taylor, Susan S, Wall, Michael E
المصدر: Acta Crystallographica Section D, Structural Biology. 79(1)
مصطلحات موضوعية: Biochemistry and Cell Biology, Biological Sciences, Chemical Sciences, Theoretical and Computational Chemistry, 1.4 Methodologies and measurements, Underpinning research, 1.1 Normal biological development and functioning, Generic health relevance, Protein Conformation, Molecular Dynamics Simulation, Proteins, Solvents, Crystallography, X-Ray, molecular-dynamics simulations, water structure, conformational ensembles, protein kinases, Physical Sciences, Biophysics, Biological sciences, Chemical sciences, Physical sciences
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/2hm478pmTest
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2دورية أكاديمية
المؤلفون: Anna P. Tolstova, Alexander A. Makarov, Alexei A. Adzhubei
مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, would markedly increase, unique dual role, single disordered protein, optimal force field, intrinsically disordered protein, free energy minima, force field selection, conformational ensembles extracted, appropriate molecular dynamics, amyloidogenic effects impacting, resulting data set, important physiological function, experimentally solved structure, replica exchange md, conventional md modeling, aβ16 wild type, uniform set, structure comparison, physiological conditions, md trajectories, md simulations, supporting information, subsequent averaging, standardized ensemble, solvent parameters, public access
الإتاحة: https://doi.org/10.1021/acs.jcim.3c01624.s001Test
https://figshare.com/articles/journal_contribution/Structure_Comparison_of_Beta_Amyloid_Peptide_A_1_42_Isoforms_Molecular_Dynamics_Modeling/25029716Test -
3دورية أكاديمية
المؤلفون: Shriram Chennakesavalu, Grant M. Rotskoff
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, “ backmapping ”, ubiquitous transformer architecture, generative neural networks, fundamentally different approach, dimensional sampling tasks, closely related problem, chain transformers excitement, biomolecular systems stems, protein structure prediction, maintains conformational diversity, unlike image generation, scalable physical simulation, parametrize generative models, driven generative models, building generative models, generate conformations based, chain conformations based, rapid data acquisition, largest data sets, protein conformational ensembles, fixed protein backbone, sample configurational ensembles
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4دورية أكاديمية
المؤلفون: Wankowicz, Stephanie A, de Oliveira, Saulo H, Hogan, Daniel W, van den Bedem, Henry, Fraser, James S
مصطلحات موضوعية: Biochemistry and Cell Biology, Biological Sciences, 1.1 Normal biological development and functioning, Underpinning research, Generic health relevance, Binding Sites, Ligands, Protein Binding, Protein Conformation, Proteins, ligand binding, conformational entropy, conformational ensembles, None, molecular biophysics, none, structural biology, Biological sciences, Biomedical and clinical sciences, Health sciences
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/89w507kdTest
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5دورية أكاديمية
المؤلفون: Yabukarski, Filip, Biel, Justin T, Pinney, Margaux M, Doukov, Tzanko, Powers, Alexander S, Fraser, James S, Herschlag, Daniel
المصدر: Proceedings of the National Academy of Sciences of the United States of America. 117(52)
مصطلحات موضوعية: Generic health relevance, Bacterial Proteins, Catalytic Domain, Crystallography, X-Ray, Kinetics, Molecular Dynamics Simulation, Pseudomonas putida, Steroid Isomerases, enzyme catalysis, catalytic proposals, conformational ensembles, X-ray crystallography, ketosteroid isomerase
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/11j9j6k6Test
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6دورية أكاديمية
المؤلفون: Chih Hung Lo
المصدر: Biophysica, Vol 2, Iss 4, Pp 440-451 (2022)
مصطلحات موضوعية: tau oligomers and aggregates, cellular and pathological heterogeneity, neurotoxicity, conformational ensembles, protein-protein interaction, molecular diversity, Biology (General), QH301-705.5
وصف الملف: electronic resource
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7دورية أكاديمية
المؤلفون: Martin Vögele, Bin W. Zhang, Jonas Kaindl, Lingle Wang
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermodynamic principles suggest, proteins ’ functions, carefully designed restraints, eight g protein, corresponding conformational ensembles, binding free energy, binding free energies, various investigated receptors, important drug targets, protein conformational changes, particular functional response, binding thermodynamics provides, functional response, conformational equilibrium, strong binding, effective drug, coupled receptors, target protein, ligand binding, thoroughly validated, strong predictor, routinely calculated, receptor determined, prohibitively long
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00899.s001Test
https://figshare.com/articles/journal_contribution/Is_the_Functional_Response_of_a_Receptor_Determined_by_the_Thermodynamics_of_Ligand_Binding_/24534663Test -
8دورية أكاديمية
المؤلفون: Bodhi P. Vani, Akashnathan Aranganathan, Pratyush Tiwary
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, theory comput .<, single point mutations, relative stabilities thereof, exploring kinase asp, evolutionarily conserved asp, behave drastically differently, based drug design, atp competitive drugs, relative conformational stabilities, loop conformational stability, conformational variability due, sampling method development, weighted protein conformations, thereby supplementing alphafold2, like structure prediction, kinases make specific, conformational ensembles, enhanced sampling, underlying architecture, three mutants, structural similarities, several methods
الإتاحة: https://doi.org/10.1021/acs.jcim.3c01436.s001Test
https://figshare.com/articles/journal_contribution/Exploring_Kinase_Asp-Phe-Gly_DFG_Loop_Conformational_Stability_with_AlphaFold2-RAVE/24590840Test -
9دورية أكاديمية
المؤلفون: Utkarsh Kapoor, Young C. Kim, Jeetain Mittal
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, predict various aspects, phase transition properties, including melting thermodynamics, findings shed light, experimental binding affinity, define nonbonded interactions, complex multiscale systems, molecular information may, complex molecular framework, microsecond time scale, atom hydropathy scale, generating conformational ensembles, provide molecular insights, without histone tails, dna model compatible, cg protein models, histone tails, enabled molecular, scale studies, level insights, conformational ensemble
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00525.s001Test
https://figshare.com/articles/journal_contribution/Coarse-Grained_Models_to_Study_Protein_DNA_Interactions_and_Liquid_Liquid_Phase_Separation/24601802Test -
10دورية أكاديمية
المؤلفون: Conev, Anja, Rigo, Mauricio Menegatti, Devaurs, Didier, Fonseca, André Faustino, Kalavadwala, Hussain, de Freitas, Martiela Vaz, Clementi, Cecilia, Zanatta, Geancarlo, Antunes, Dinler Amaral, Kavraki, Lydia E.
مصطلحات موضوعية: proteins, conformational ensembles, clustering, dimensionality reduction, molecular dynamics (MD), crystal structure analysis, ddc:570
وصف الملف: 11 Seiten; application/pdf
العلاقة: https://refubium.fu-berlin.de/handle/fub188/40433Test; http://dx.doi.org/10.17169/refubium-40154Test
الإتاحة: https://doi.org/10.17169/refubium-40154Test
https://doi.org/10.1093/bib/bbad242Test
https://refubium.fu-berlin.de/handle/fub188/40433Test