{"id":"W3082889603","doi":"10.1002/prot.26000","title":"Exploring the conformational dynamics of <scp>PD1</scp> in complex with different ligands: What we can learn for designing novel <scp>PD1</scp> signaling blockers?","year":2020,"lang":"en","type":"article","venue":"Proteins Structure Function and Bioinformatics","topic":"Immune Cell Function and Interaction","field":"Immunology and Microbiology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Effector; Pembrolizumab; Cell biology; Chemistry; Signal transduction; Ligand (biochemistry); Inhibitory postsynaptic potential; Nivolumab; Receptor; Antibody; Epitope; Computational biology; Stereochemistry; Biophysics; Biology; Biochemistry; Immune system; Neuroscience; Immunotherapy; Genetics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001777404,0.0003255462,0.0003876351,0.0001818934,0.0003926353,0.0001539462,0.0001587277,0.0001844133,0.00003945467],"category_scores_gemma":[0.000191463,0.0002170461,0.00009511669,0.0002660255,0.0001575678,0.0008648676,0.00007020459,0.0005527704,0.000006098505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007760746,"about_ca_system_score_gemma":0.00006545344,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002707334,"about_ca_topic_score_gemma":0.00006747516,"domain_scores_codex":[0.9985548,0.00004020236,0.0007146845,0.0001983079,0.0001297817,0.0003622005],"domain_scores_gemma":[0.9987339,0.0003225679,0.0005207162,0.0001620347,0.0002079181,0.00005282124],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001506631,0.0003441469,0.003207695,0.003414587,0.001655388,0.000001356885,0.07807856,0.007322245,0.8178611,0.007435269,0.005513322,0.07365964],"study_design_scores_gemma":[0.01258897,0.004058415,0.006964759,0.001030869,0.0004314932,0.0002109092,0.210357,0.1355577,0.5251333,0.0003658657,0.1028316,0.0004692067],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8256474,0.0004806724,0.1677644,0.001620913,0.001655557,0.002282388,0.0001143363,0.0001432407,0.0002911103],"genre_scores_gemma":[0.9951442,0.0001917466,0.002340716,0.0007733044,0.00007927963,0.0001067338,0.0009404859,0.00002764224,0.0003958223],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2927279,"threshold_uncertainty_score":0.8850884,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04225885708659104,"score_gpt":0.2121539109403449,"score_spread":0.1698950538537539,"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."}}