PMC:7441777 / 16533-16909 JSONTXT

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T109","span":{"begin":355,"end":358},"obj":"http://purl.obolibrary.org/obo/CLO_0009325"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T245","span":{"begin":131,"end":133},"obj":"Chemical"},{"id":"T247","span":{"begin":349,"end":353},"obj":"Chemical"},{"id":"T248","span":{"begin":360,"end":363},"obj":"Chemical"}],"attributes":[{"id":"A245","pred":"chebi_id","subj":"T245","obj":"http://purl.obolibrary.org/obo/CHEBI_53458"},{"id":"A246","pred":"chebi_id","subj":"T245","obj":"http://purl.obolibrary.org/obo/CHEBI_74707"},{"id":"A247","pred":"chebi_id","subj":"T247","obj":"http://purl.obolibrary.org/obo/CHEBI_4806"},{"id":"A248","pred":"chebi_id","subj":"T248","obj":"http://purl.obolibrary.org/obo/CHEBI_136608"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}

{"project":"LitCovid-PubTator","denotations":[{"id":"371","span":{"begin":134,"end":138},"obj":"Chemical"},{"id":"383","span":{"begin":365,"end":369},"obj":"Gene"}],"attributes":[{"id":"A371","pred":"tao:has_database_id","subj":"371","obj":"MESH:C437084"},{"id":"A383","pred":"tao:has_database_id","subj":"383","obj":"Gene:2959"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}

{"project":"LitCovid-PD-GlycoEpitope","denotations":[{"id":"T4","span":{"begin":355,"end":358},"obj":"GlycoEpitope"}],"attributes":[{"id":"A4","pred":"glyco_epitope_db_id","subj":"T4","obj":"http://www.glycoepitope.jp/epitopes/AN0049"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}

{"project":"LitCovid-sentences","denotations":[{"id":"T172","span":{"begin":147,"end":253},"obj":"Sentence"},{"id":"T173","span":{"begin":255,"end":259},"obj":"Sentence"},{"id":"T174","span":{"begin":261,"end":324},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}

{"project":"2_test","denotations":[{"id":"32720577-26583988-56195112","span":{"begin":229,"end":233},"obj":"26583988"}],"text":"rmations for each simulation, and we used 500 snapshots from the last 50 ns trajectories for binding affinity estimation using the MM-PBSA scheme. The trajectory analysis was done by the AmberTools19 CPPTRAJ (Roe \u0026 Cheatham III, 2013) module of Amber18.\n\n2.3. Molecular mechanics Poisson-Boltzmann surface area calculations\nThe binding affinity of EGCG, TF1, TF3, TF2b, TF2a,"}