Structural analysis of interfaces in macromolecular complexes is crucial to unveiling the mechanisms underlying molecular recognition. While several valuable computational tools exist for interface analysis, many web-based tools have limitations in input types, analysis comprehensiveness, or output customization, and there remains a need for an immediately accessible solution requiring no software installation, especially for users with limited computational skills. We have developed FACE2FACE, a user-friendly, fast, and comprehensive tool available as a web server for macromolecule interface analysis. FACE2FACE analyzes interfaces between proteins, nucleic acids, and other biological macromolecules or small molecules, providing extensive information that can be instantly visualized on the server interface and easily downloaded. The downloaded materials comprise files in formats that can be easily parsed and imported in spreadsheet applications as customizable contact maps and scripts to quickly visualize interface features in widely used applications such as PyMol and ChimeraX. Examples of FACE2FACE contributions to research projects are described.

Fast, comprehensive, and user customizable macromolecule interface analysis with FACE2FACE / Di Micco, Patrizio; Incarnato, Mario; Pascarella, Gianmarco; Via, Allegra; Morea, Veronica. - In: JOURNAL OF CHEMICAL INFORMATION AND MODELING. - ISSN 1549-9596. - 65:18(2025), pp. 9371-9377. [10.1021/acs.jcim.5c00771]

Fast, comprehensive, and user customizable macromolecule interface analysis with FACE2FACE

Di Micco, Patrizio
Conceptualization
;
Pascarella, Gianmarco
Software
;
Via, Allegra
Funding Acquisition
;
2025

Abstract

Structural analysis of interfaces in macromolecular complexes is crucial to unveiling the mechanisms underlying molecular recognition. While several valuable computational tools exist for interface analysis, many web-based tools have limitations in input types, analysis comprehensiveness, or output customization, and there remains a need for an immediately accessible solution requiring no software installation, especially for users with limited computational skills. We have developed FACE2FACE, a user-friendly, fast, and comprehensive tool available as a web server for macromolecule interface analysis. FACE2FACE analyzes interfaces between proteins, nucleic acids, and other biological macromolecules or small molecules, providing extensive information that can be instantly visualized on the server interface and easily downloaded. The downloaded materials comprise files in formats that can be easily parsed and imported in spreadsheet applications as customizable contact maps and scripts to quickly visualize interface features in widely used applications such as PyMol and ChimeraX. Examples of FACE2FACE contributions to research projects are described.
2025
protein interfaces; interfacial structure; macromolecules peptides and proteins
01 Pubblicazione su rivista::01a Articolo in rivista
Fast, comprehensive, and user customizable macromolecule interface analysis with FACE2FACE / Di Micco, Patrizio; Incarnato, Mario; Pascarella, Gianmarco; Via, Allegra; Morea, Veronica. - In: JOURNAL OF CHEMICAL INFORMATION AND MODELING. - ISSN 1549-9596. - 65:18(2025), pp. 9371-9377. [10.1021/acs.jcim.5c00771]
File allegati a questo prodotto
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1749945
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 0
  • ???jsp.display-item.citation.isi??? 0
social impact