{"id":"W2095179332","doi":"10.1002/bip.20337","title":"Theoretical study of volume changes associated with the helix–coil transition of an alanine‐rich peptide in aqueous solution","year":2005,"lang":"en","type":"article","venue":"Biopolymers","topic":"Supramolecular Self-Assembly in Materials","field":"Materials Science","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of Alberta","funders":"","keywords":"Chemistry; Random coil; Electromagnetic coil; van der Waals force; Peptide; Volume (thermodynamics); Helix (gastropod); Alanine; Crystallography; Preprint; Aqueous solution; Thermodynamics; Chemical physics; Molecule; Physics; Amino acid; Physical chemistry; Circular dichroism; Organic chemistry; Quantum mechanics","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":[0.0003917795,0.0003780139,0.0004604891,0.0007903904,0.0004883549,0.0004817039,0.0008726041,0.0007303809,0.00142637],"category_scores_gemma":[0.001175552,0.0003448355,0.0005247909,0.0004062312,0.0009605487,0.0006688795,0.0004661821,0.0004686476,0.0001870333],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007121534,"about_ca_system_score_gemma":0.000502788,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002279727,"about_ca_topic_score_gemma":0.000847169,"domain_scores_codex":[0.9998748,0.00002831433,0.000003829301,0.00001622786,0.00004632127,0.00003045681],"domain_scores_gemma":[0.9996908,0.0001873689,0.00002969369,0.00001647973,0.00004133433,0.00003436443],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001140332,0.000078791,0.001209338,0.0001067171,0.00002416078,0.0003450758,0.0001494348,0.9490678,0.02381491,0.02003659,0.0002669953,0.004786199],"study_design_scores_gemma":[0.000008864217,0.00002166154,0.0002278655,0.000003455489,0.000003105496,0.00001322161,0.00001360179,0.9963635,0.001121702,0.002092663,0.0001244243,0.000006017521],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9223974,0.0006457352,0.06731928,0.0003875368,0.00005149291,0.00005361308,0.0001203224,0.0001596958,0.008864992],"genre_scores_gemma":[0.9945185,0.0002089338,0.004201214,0.00004172904,0.00001603836,0.00006389419,0.00006688855,0.00003430525,0.0008484508],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002279727,"threshold_uncertainty_score":0.005167067,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00825147956735253,"score_gpt":0.2342998960999838,"score_spread":0.2260484165326312,"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."}}