AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses

Filip Stefaniak; Janusz M. Bujnicki

doi:10.1371/journal.pcbi.1008309

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Open Access

Peer-reviewed

Research Article

AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses

Filip Stefaniak ,

Roles Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Visualization, Writing – original draft, Writing – review & editing

* E-mail: fstefaniak@genesilico.pl (FS); iamb@genesilico.pl (JMB)

Affiliation Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, Warsaw, Poland

https://orcid.org/0000-0001-5758-9416

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Janusz M. Bujnicki

Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

* E-mail: fstefaniak@genesilico.pl (FS); iamb@genesilico.pl (JMB)

Affiliations Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, Warsaw, Poland, Institute of Molecular Biology and Biotechnology, Faculty of Biology, Adam Mickiewicz University, Poznan, Poland

https://orcid.org/0000-0002-6633-165X

⨯

AnnapuRNA: A scoring function for predicting RNA-small molecule binding poses

Filip Stefaniak,
Janusz M. Bujnicki

Published: February 1, 2021
https://doi.org/10.1371/journal.pcbi.1008309

About the Authors

Filip Stefaniak

Roles Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Visualization, Writing – original draft, Writing – review & editing

* E-mail: fstefaniak@genesilico.pl (FS); iamb@genesilico.pl (JMB)

Affiliation Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, Warsaw, Poland

https://orcid.org/0000-0001-5758-9416

Janusz M. Bujnicki

Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

* E-mail: fstefaniak@genesilico.pl (FS); iamb@genesilico.pl (JMB)

Affiliations Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, Warsaw, Poland, Institute of Molecular Biology and Biotechnology, Faculty of Biology, Adam Mickiewicz University, Poznan, Poland

https://orcid.org/0000-0002-6633-165X

Competing Interests

The authors have declared that no competing interests exist.

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RNA structure
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Molecular structure
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Drug interactions
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Small molecules
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Machine learning
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Molecular docking
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Riboswitches
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Crystal structure
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