ArticlebioRxiv : the preprint server for biology2024
Predicting binding events in very flexible, allosteric, multi-domain proteins.
Andrea Basciu, Mohd Athar, Han Kurt, Christine Neville, Giuliano Malloci, Fabrizio C Muredda, Andrea Bosin, Paolo Ruggerone, Alexandre M J J Bonvin, Attilio V Vargiu
Abstract readPreprint
In one paragraphArticle in bioRxiv : the preprint server for biology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from itWhat it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
2 · The registryThe trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
3 · Its place in the literatureWho cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
4 · The recordCorrections and comments
5 · Who and what moneyAuthors and funding
10 authors.
Andrea BasciuPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0001-5734-8882 Mohd AtharPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0001-6337-1026 Han KurtPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0003-4052-2228 Christine NevilleInstitute for Computational Molecular Science, Temple University, 1925 N. 12th Street Philadelphia, PA 19122, U.S.A.
Giuliano MallociPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0002-5985-257X Fabrizio C MureddaPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.
Andrea BosinPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0001-6300-5712 Paolo RuggeronePhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0003-0825-0824 Alexandre M J J BonvinBijvoet Centre for Biomolecular Research, Faculty of Science - Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands.ORCID 0000-0001-7369-1322 Attilio V VargiuPhysics Department, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy.ORCID 0000-0003-4013-8867 Funding
Optimization of efflux avoidance and inhibition for antibiotic developmentR01AI136799 · NIAID · UNIVERSITY OF OKLAHOMA · PI GNANAKARAN, SANDRASEGARAM, RUGGERONE, PAOLO · 2018 to 2022
$5.7MNIAID NIH HHS R01 AI136799
6 · The paper itselfAbstract
Knowledge of the structures formed by proteins and small molecules is key to understand the molecular principles of chemotherapy and for designing new and more effective drugs. During the early stage of a drug discovery program, it is customary to predict ligand-protein complexes
Identifiers
PMID38895346
PMCPMC11185556
What Socratic holds
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