المؤلفون: Buch Mundó, Ignasi

المساهمون: University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut

مرشدي الرسالة: De Fabritiis, Gianni

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Computational biophysics, Molecular dynamics simulations, Distributed computing, Free energy calculations, Ligand binding, Binding affinity, Binding kinetics, Binding pathway, Markov state modeling

وصف الملف: application/pdf

الوصول الحر: http://hdl.handle.net/10803/101407Test

المؤلفون: Jinan Wang, Lan Lan, Xiaoqing Wu, Liang Xu, Yinglong Miao

المصدر: Current Research in Structural Biology, Vol 4, Iss , Pp 10-20 (2022)

مصطلحات موضوعية: Musashi RNA-binding proteins, Protein-RNA binding, Binding pathway and mechanism, Free energy landscape, Gaussian accelerated molecular dynamics, Biology (General), QH301-705.5

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2665928X21000301Test; https://doaj.org/toc/2665-928XTest

الوصول الحر: https://doaj.org/article/124b2fc68bde4f399bfe21a38b5c561eTest

المؤلفون: Ludovico Pipitò, Christopher A. Reynolds, Juan Carlos Mobarec, Owen Vickery, Giuseppe Deganutti

المصدر: Biomolecules; Volume 12; Issue 11; Pages: 1607

مصطلحات موضوعية: SARS-CoV-2, spike protein ACE-2, molecular dynamics, supervised molecular dynamics, binding pathway

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Molecular Structure and Dynamics; https://dx.doi.org/10.3390/biom12111607Test

الإتاحة: https://doi.org/10.3390/biom12111607Test

المؤلفون: Dániel Szöllősi, Thomas Stockner

المصدر: Frontiers in Cellular Neuroscience, Vol 15 (2021)

مصطلحات موضوعية: human serotonin transporter, sodium binding, kinetics, sodium binding pathway, molecular dynamics simulations, SERT, Neurosciences. Biological psychiatry. Neuropsychiatry, RC321-571

وصف الملف: electronic resource

العلاقة: https://www.frontiersin.org/articles/10.3389/fncel.2021.673782/fullTest; https://doaj.org/toc/1662-5102Test

الوصول الحر: https://doaj.org/article/957e505f60c74bc88e9fa5d6b35a795cTest

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/Principle_of_force_application_strategy_/14475412Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s001Test

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/User-defined_force_calculation_script_/14475418Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s002Test

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/Hairpin_loop_2_HP2_opens_within_100_ns_of_removing_the_substrate_/14475421Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s003Test

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/Coordination_of_Glt_sub_ph_sub_-asp_binding_in_intermediate_state_/14475424Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s004Test

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/Coordination_in_user-defined_force_simulation_without_Na1_occupied_/14475427Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s005Test

المؤلفون: Jiali Wang (593779), Peifan Li (6084596), Xiaozhen Yu (587658), Christof Grewer (804237)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein binding sites, micro-second level simulation times, hairpin loop 2, MD, glutamate transporters Glutamate tr., 0.1 M range, residues D 390, binding pathway, substrate binding, side chain carboxylate function, glutamate transporter homologue Glt ph, EAAT, acid transporter 1

العلاقة: https://figshare.com/articles/journal_contribution/Aspartate_spontaneous_binding_process_with_10_cut-off_distance_/14475436Test

الإتاحة: https://doi.org/10.1371/journal.pone.0250635.s007Test