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Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments

eLife(2025)10.7554/elife.103797.2Source: DataRank Database

Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments is a research paper published in eLife (2025). On theSindex it has a DataRank of 0.

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (5 grants)OA: goldTopics (29)IDs (PubMed, OpenAlex)

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Authors (9)

Nathaniel Echols,G.J. Correy ORCID,Priya Jaishankar,Takaya Togo ORCID,Adam R. Renslo ORCID

Live enrichment

PubMed:23304386 OpenAlex:https://openalex.org/W4411056726

National Institutes of Health

Grant: U19AI171110

National Institutes of Health

Grant: NIHGM145238

Chan Zuckerberg Initiative

Grant: Essential Open Software

National Institutes of Health

Grant: 1U19AI171110-01

QCRG Pandemic Response Program

National Institutes of Health

Grant: 3R35GM145238-02S1

Equipment for Discovering and Manipulating Macromolecular Conformational Ensembles

goldLicense: cc-by

journalhttps://doi.org/10.7554/elife.103797.2

publisherhttps://doi.org/10.7554/elife.103797.2

publisherhttps://cdn.elifesciences.org/preprints/103797/elife-preprint-103797-v2.pdf

publisherhttps://cdn.elifesciences.org/preprints/103797/elife-preprint-103797-v2.xml

publisherhttps://elifesciences.org/reviewed-preprints/103797v2/pdf

Fields of Study

Computational Drug Discovery MethodsProtein Structure and DynamicsMicrobial Metabolic Engineering and Bioproduction0301 basic medicine03 medical and health sciences

Keywords

Ligand (biochemistry)ChemistryComputer scienceReceptorBiochemistryModels, MolecularMacrocyclic CompoundsQH301-705.5ScienceStructural Biology and Molecular BiophysicsQRMolecular Conformationconformational heterogeneityLigandsCrystallography, X-RayArticlecompositional heterogeneitysmall moleculescryo-EMMedicineBiology (General)Databases, ProteinX-ray crystallography