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PMC:7605337 / 32455-33140 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T209 103-105 http://purl.obolibrary.org/obo/CLO_0008922 denotes S2
T210 103-105 http://purl.obolibrary.org/obo/CLO_0050052 denotes S2
T211 125-126 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T212 239-240 http://purl.obolibrary.org/obo/CLO_0001020 denotes a

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T99 103-105 Chemical denotes S2 http://purl.obolibrary.org/obo/CHEBI_29387

LitCovid-PD-GO-BP

Id Subject Object Predicate Lexical cue
T11 204-213 http://purl.obolibrary.org/obo/GO_0009058 denotes formation

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T202 0-106 Sentence denotes Binding free energy decomposition to its individual components for all mutants is represented in Table S2.
T203 107-293 Sentence denotes In all complexes, a large positive polar solvation free energy disfavors the binding and complex formation, which is compensated by a large negative electrostatic free energy of binding.
T204 294-333 Sentence denotes All variants had similar SASA energies.
T205 334-447 Sentence denotes The vdw free energy of binding ranged from −84.68 ± 0.68 kcal/mol for Q493A to −103.85 ± 0.66 kcal/mol for Y489A.
T206 448-685 Sentence denotes Mutant K417A had the lowest electrostatic contribution to binding −415.67 ± 5.07 kcal/mol and mutants N439K and E484A had the highest electrostatic binding contribution of −989.80 ± 5.6 kcal/mol and −941.20 ± 3.95 kcal/mol, respectively.