يعرض 1 - 20 نتائج من 51 نتيجة بحث عن '"post-hoc study"', وقت الاستعلام: 0.49s تنقيح النتائج
  1. 1
    Academic Journal
    Comparison of the performance of nine scoring functions, expressed as a RMSD of the best scored pose to the reference pose (left pane), best in top three scored poses ( S (3), middle pane), and best in top five scored poses ( S (5), right pane).

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_the_performance_of_nine_scoring_functions_expressed_as_a_RMSD_of_the_best_scored_pose_to_the_reference_pose_left_pane_best_in_top_three_scored_poses_i_S_i_3_middle_pane_and_best_in_top_five_scored_poses_i_S_i_5_right_pane_/13681086

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s010

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  2. 2
    Academic Journal
    S11 Fig -

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/S11_Fig_-/13681089

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s011

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  3. 3
    Academic Journal
    Correlation coefficient values (RMSD vs score) of nine scoring functions obtained for a testing set, expressed as a Spearman's rank correlation coefficient (left panes), Pearson correlation coefficient (middle panes), and Kendall rank correlation coefficient (right panes).

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Correlation_coefficient_values_RMSD_vs_score_of_nine_scoring_functions_obtained_for_a_testing_set_expressed_as_a_Spearman_s_rank_correlation_coefficient_left_panes_Pearson_correlation_coefficient_middle_panes_and_Kendall_rank_correlation_co/13681107

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s017

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  4. 4
    Academic Journal
    Comparison of the performance of three scoring functions, expressed as a RMSD to the reference pose of best in scored poses (pane A) and best in top five scored poses ( S (5), pane B), calculated for three conformer generation methods.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_the_performance_of_three_scoring_functions_expressed_as_a_RMSD_to_the_reference_pose_of_best_in_scored_poses_pane_A_and_best_in_top_five_scored_poses_i_S_i_5_pane_B_calculated_for_three_conformer_generation_methods_/13681095

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s013

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  5. 5
    Academic Journal
    List of pairs of complexes with the same or very similar ligand (fingerprint similarity = 100%), sequence identity > = 90% and RMSD < = 5 Å.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/List_of_pairs_of_complexes_with_the_same_or_very_similar_ligand_fingerprint_similarity_100_sequence_identity_90_and_RMSD_5_/13681113

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s019

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  6. 6
    Academic Journal
    Performance of scoring functions derived with five machine learning methods, based on four different interaction distance cutoffs.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Performance_of_scoring_functions_derived_with_five_machine_learning_methods_based_on_four_different_interaction_distance_cutoffs_/13681125

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s023

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  7. 7
    Academic Journal
    Comparison of the new structures used in the 2016 dataset with structures in the 2013 dataset.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_the_new_structures_used_in_the_2016_dataset_with_structures_in_the_2013_dataset_/13681116

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s020

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  8. 8
    Academic Journal
    Structures (PDB IDs and ligands IDs) used in the “2013” dataset, the “2016” dataset, and the testing set.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Structures_PDB_IDs_and_ligands_IDs_used_in_the_2013_dataset_the_2016_dataset_and_the_testing_set_/13681110

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s018

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  9. 9
    Academic Journal
    Hyperparameter search space for machine learning methods.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Hyperparameter_search_space_for_machine_learning_methods_/13681122

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s022

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  10. 10
    Academic Journal
    Influence on the interaction probability transformations on the performance of scoring functions.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Influence_on_the_interaction_probability_transformations_on_the_performance_of_scoring_functions_/13681131

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s025

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  11. 11
    Academic Journal
    Influence on the input data transformation—distance binning and angle binning or cosine transformation and binning, on the performance of scoring functions.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Influence_on_the_input_data_transformation_distance_binning_and_angle_binning_or_cosine_transformation_and_binning_on_the_performance_of_scoring_functions_/13681128

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s024

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  12. 12
    Academic Journal
    Comparison of the performance of scoring functions for the full testing set and the non-redundant testing set (a full testing set with excluded four structures similar to the training set—the same or very similar ligand, sequence identity > = 90% and RMSD < = 5 Å).

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_the_performance_of_scoring_functions_for_the_full_testing_set_and_the_non-redundant_testing_set_a_full_testing_set_with_excluded_four_structures_similar_to_the_training_set_the_same_or_very_similar_ligand_sequence_identity_90_/13681143

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s029

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  13. 13
    Academic Journal
    Summary of the performance, expressed as a RMSD of the best selected pose to the reference pose ( S (1)), S (3), and S (5), together with standard deviation values, for nine tested scoring functions.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Summary_of_the_performance_expressed_as_a_RMSD_of_the_best_selected_pose_to_the_reference_pose_i_S_i_1_i_S_i_3_and_i_S_i_5_together_with_standard_deviation_values_for_nine_tested_scoring_functions_/13681140

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s028

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  14. 14
    Academic Journal
    SR values for all combinations of conformer generation programs, docking programs, and scoring functions for the training set.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/SR_values_for_all_combinations_of_conformer_generation_programs_docking_programs_and_scoring_functions_for_the_training_set_/13681146

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s030

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  15. 15
    Academic Journal
    Comparison of scoring performance for a combination of four docking methods, with ten scoring functions.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_scoring_performance_for_a_combination_of_four_docking_methods_with_ten_scoring_functions_/13681152

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s032

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  16. 16
    Academic Journal
    Comparison of the performance of two scoring functions (DL and kNN) for various weights of the ligand term ( w ).

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_the_performance_of_two_scoring_functions_DL_and_kNN_for_various_weights_of_the_ligand_term_i_w_i_/13681137

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s027

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  17. 17
    Academic Journal
    Comparison of scoring performance for a combination of three methods of conformer generation, with four docking programs, with ten scoring functions.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Comparison_of_scoring_performance_for_a_combination_of_three_methods_of_conformer_generation_with_four_docking_programs_with_ten_scoring_functions_/13681161

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s035

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  18. 18
    Academic Journal
    Mean and median correlation coefficient values (RMSD vs. score values) obtained for a testing set of nine scoring functions, expressed as a Spearman's rank correlation coefficient, Pearson correlation coefficient, and Kendall rank correlation coefficient.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Mean_and_median_correlation_coefficient_values_RMSD_vs_score_values_obtained_for_a_testing_set_of_nine_scoring_functions_expressed_as_a_Spearman_s_rank_correlation_coefficient_Pearson_correlation_coefficient_and_Kendall_rank_correlation_coe/13681170

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s038

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  19. 19
    Academic Journal
    Docking poses processing time (rDock docking program, 100 poses per complex) for three scoring functions—LigandRNA developed earlier in our group and the new scoring function in two variants ( k NN and DL).

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Docking_poses_processing_time_rDock_docking_program_100_poses_per_complex_for_three_scoring_functions_LigandRNA_developed_earlier_in_our_group_and_the_new_scoring_function_in_two_variants_i_k_i_NN_and_DL_/13681167

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s037

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  20. 20
    Academic Journal
    Additional information.

    المؤلفون: Filip Stefaniak (2899589), Janusz M. Bujnicki (7382015)

    مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, docking method, structure prediction, RNA-ligand systems, AnnapuRNA method, prediction purposes, post-hoc study, RNA-small molecule binding, protein targets, molecule drugs, FMN riboswitch, function, docking program

    Relation: https://figshare.com/articles/journal_contribution/Additional_information_/13681173

    الاتاحة: https://doi.org/10.1371/journal.pcbi.1008309.s039

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