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First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach

  • Published:2021-11-09 Issue:11 Volume:61 Page:5484-5498
  • ISSN:1549-9596
  • Container-title:Journal of Chemical Information and Modeling
  • language:en
  • Short-container-title:J. Chem. Inf. Model.

Author:

Pantaleone Stefano123ORCID,Rimola Albert1ORCID,Ugliengo Piero2ORCID,Sodupe Mariona1ORCID

Affiliation:

1. Departament de Química, Universitat Autònoma de Barcelona, Bellaterra 08193, Catalonia, Spain

2. Dipartimento di Chimica and Nanostructured Interfaces and Surfaces (NIS) Inter-Departmental Centre, Università degli Studi di Torino, Via P. Giuria 7, Torino 10125, Italy

3. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Via Elce di Sotto 8, Perugia I-06123, Italy

Funder

Departament d'Innovaci??, Universitats i Empresa, Generalitat de Catalunya

Secretar??a de Estado de Investigaci??n, Desarrollo e Innovaci??n

Agenzia Spaziale Italiana

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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