{"id":"W3087284646","doi":"10.1186/s13062-020-00267-2","title":"AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4","year":2020,"lang":"en","type":"article","venue":"Biology Direct","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":373,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Calgary","funders":"Universidad de Medellín","keywords":"Docking (animal); Graphical user interface; AutoDock; Visualization; Scripting language; Computer science; Structural bioinformatics; Computational biology; Protein–ligand docking; Software; Python (programming language); Programming language; Biology; Bioinformatics; Data mining; Virtual screening; Protein structure; Drug discovery","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002719949,0.001680315,0.002723663,0.002226891,0.0008815058,0.00192644,0.00470493,0.00113176,0.07598983],"category_scores_gemma":[0.005056142,0.001406652,0.001503765,0.001662765,0.0003259481,0.002232395,0.003093208,0.00268134,0.02902439],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008969919,"about_ca_system_score_gemma":0.001663025,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00325853,"about_ca_topic_score_gemma":0.003188481,"domain_scores_codex":[0.9987736,0.0003563474,0.0001316131,0.0002158579,0.0003703865,0.0001521818],"domain_scores_gemma":[0.9987575,0.000583511,0.000109266,0.0001911157,0.0002392633,0.0001193144],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001760679,0.0002121812,0.002592099,0.003124941,0.0005350579,0.0004560103,0.0002780626,0.01531767,0.03471484,0.01748664,0.6574823,0.2660394],"study_design_scores_gemma":[0.001303217,0.0002584119,0.00208976,0.0004436861,0.0002464351,0.0009861176,0.00006588267,0.131299,0.05955848,0.01626684,0.7869905,0.0004915829],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.01395007,0.004255901,0.5830491,0.0009183208,0.0006635144,0.0004458013,0.05862708,0.3219246,0.01616571],"genre_scores_gemma":[0.1068913,0.004006051,0.68092,0.001222929,0.0001683176,0.002071765,0.09680215,0.07552689,0.03239063],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.07598983,"threshold_uncertainty_score":0.2542113,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02286481841534719,"score_gpt":0.2904815327576179,"score_spread":0.2676167143422707,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}