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Lyu et al. (Science, published online 16 May 2024) report that prospective docking against unrefined AlphaFold2 models of two receptors gave hit rates similar to docking against experimental structures, and state that such models remain relevant for ligand discovery, extending the domain of structure-based drug design. Copy claim link
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Machine-checked, not reviewed by an editor Stated in source Supported
Supporting evidence: primary · 1 source; Context: primary · 1 source
Date 2024-05-16 · publication Records dated 2024 → Role Articulation, Earliest located use of the name Register (kind of text) Nonfiction Name used “structure-based drug design” Scope of the passage Stated for two receptors, from prospective docking results reported by the authors. Scope and limits The record documents what this text states, in its register; it is not evidence that the proposition is true and implies no influence on or from any other text. Read in the Europe PMC record of the abstract only. The authors' own results for two receptors; the abstract also notes "mixed success" of such models in retrospective ligand recognition.
The evidence 03 primary source Supports the claim
AlphaFold2 structures guide prospective ligand discovery ↗ Europe PMC (record of the PubMed abstract; article in Science) · 2024-06-21
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Source excerpt “AF2 models may sample conformations that differ from experimental structures but remain low energy and relevant for ligand discovery, extending the domain of structure-based drug design.” Location in source Abstract (Europe PMC record, abstractText), last sentence
How it was read Retrieved directly from the publisher
Machine-checked · 2026-10-30
Source details and check notes Authors Lyu J; Kapolka N; Gumpper R; Shoichet BK; Roth BL Version Retrieved for the candidate pack on 2026-10-30 (SHA-256 673e928e4e05fbe232ca7d35fc15063d17e4843f4843820b58b205d0ebf9e510). Europe PMC REST core record (JSON) with the abstract; science.org, the PMC author manuscript (browser check) and the Europe PMC full text (HTTP 500) were not readable. The author list is partial: it gives the authors the retrieved expression names and leaves out those it abbreviates. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Attribution Lyu J, Kapolka N, Gumpper R, Shoichet BK, Roth BL, “AlphaFold2 structures guide prospective ligand discovery”, 2024-06-21. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Candidate pack passage, AI in biology (research/ai-in-biology). The quotation (26 words) matched the text retrieved for the candidate pack on 2026-10-30. Matching ignored differences of whitespace, case, quotation marks, dashes and Unicode compatibility forms, so the source’s typography can differ. Abstract text relayed by Europe PMC's record of the PubMed abstract: the authors' own text, so primary; the journal expression was not read. The authors' conclusion. A cross-family machine check (2026-10-30, item B113) re-read the record’s sources and found full support; its corrections were applied at admission. No human editorial review. primary source Supports the claim
AlphaFold2 structures guide prospective ligand discovery ↗ Europe PMC (record of the PubMed abstract; article in Science) · 2024-06-21
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Source excerpt “AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition.” Location in source Abstract (Europe PMC record, abstractText), first sentence
How it was read Retrieved directly from the publisher
Machine-checked · 2026-10-30
Source details and check notes Authors Lyu J; Kapolka N; Gumpper R; Shoichet BK; Roth BL Version Retrieved for the candidate pack on 2026-10-30 (SHA-256 673e928e4e05fbe232ca7d35fc15063d17e4843f4843820b58b205d0ebf9e510). Europe PMC REST core record (JSON) with the abstract; science.org, the PMC author manuscript (browser check) and the Europe PMC full text (HTTP 500) were not readable. The author list is partial: it gives the authors the retrieved expression names and leaves out those it abbreviates. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Attribution Lyu J, Kapolka N, Gumpper R, Shoichet BK, Roth BL, “AlphaFold2 structures guide prospective ligand discovery”, 2024-06-21. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Candidate pack passage, AI in biology (research/ai-in-biology). The quotation (14 words) matched the text retrieved for the candidate pack on 2026-10-30. Matching ignored differences of whitespace, case, quotation marks, dashes and Unicode compatibility forms, so the source’s typography can differ. Abstract text relayed by Europe PMC's record of the PubMed abstract: the authors' own text, so primary; the journal expression was not read. The authors' own statement of the earlier record, kept with the claim. A cross-family machine check (2026-10-30, item B113) re-read the record’s sources and found full support; its corrections were applied at admission. No human editorial review. primary source Context only
AlphaFold2 structures guide prospective ligand discovery ↗ Science (American Association for the Advancement of Science) · 2024-05-16
Archived copy, captured 2024-05-16: AlphaFold2 structures guide prospective ligand discovery ↗
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Paraphrase The publisher’s page gives online publication on 16 May 2024; the print issue is dated 21 June 2024.
Location in source Header of the captured article page
Machine-checked · 2026-10-30
Source details and check notes Authors Lyu J; Kapolka N; Gumpper R; Shoichet BK; Roth BL Version Internet Archive capture of 16 May 2024 of the publisher’s article page, opened by the cross-family machine check on 2026-10-30 (SHA-256 4921a2a8c7fd3ad2ef22b951b416e98e69daf2071fe264c3f34e8648f6dceefe). The check reports a release header of 16 May 2024 and both quoted abstract conclusions. This admission could not reach the Internet Archive and did not repeat the reading. The author list is partial: it gives the authors the retrieved expression names and leaves out those it abbreviates. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Archive copy Open archived copy, captured 2024-05-16: AlphaFold2 structures guide prospective ligand discovery ↗ . Captured on the recorded publication date. An archive copy shows only what the archive retrieved on 2024-05-16. It does not prove what the page said earlier, and it can differ from the copy checked on 2026-10-30.Attribution Lyu J, Kapolka N, Gumpper R, Shoichet BK, Roth BL, “AlphaFold2 structures guide prospective ligand discovery”, 2024-05-16. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Added at the admission of the AI in biology pack (research/ai-in-biology). The cross-family machine check of 2026-10-30 opened the Internet Archive capture this source names; this admission could not reach the Internet Archive and did not repeat the reading. The passage is Selekoa’s paraphrase of what the check reported, not a quotation. No human editorial review. Status and meaning Editorial status. Not reviewed by an editor . An exploratory record that no editor has accepted. This status does not say whether a person has read any linked passage. Each evidence record above shows how it was checked.
Relation. A passage of the document meets the proposition’s criterion. The record documents what the text states, in its register (fiction and satire are labelled); it is not evidence that the proposition is true and implies no influence on or from another text.
Date. Online publication date on the publisher’s page, in its capture of 16 May 2024 read by the cross-family machine check of 2026-10-30; the print issue is dated 21 June 2024, which the Europe PMC record quoted here labels as the date of electronic publication. The disagreement is kept.
Record ID aib-arg-p1-lyu-2024