Zobrazeno 1 - 10
of 106
pro vyhledávání: '"Danilo Roccatano"'
Autor:
Wenwei Ma, Angela Saccardo, Danilo Roccatano, Dorothy Aboagye-Mensah, Mohammad Alkaseem, Matthew Jewkes, Francesca Di Nezza, Mark Baron, Mikhail Soloviev, Enrico Ferrari
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
The conjugation of nanoparticles and proteins can require complex optimization for the addition of different proteins. Here, the authors report on the development of a simple isopeptide bond forming method of conjoining gold nanoparticles and fusion
Externí odkaz:
https://doaj.org/article/9e33ebec41ce4df4916b15da4af90d03
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 2, Iss 3 (2012)
The combination of computational and directed evolution methods has proven a winning strategy for protein engineering. We refer to this approach as computer-aided protein directed evolution (CAPDE) and the review summarizes the recent developments in
Externí odkaz:
https://doaj.org/article/79a30a7a36fc4052841c6838fb9bc4b6
Publikováno v:
Journal of Colloid and Interface Science. 605:286-295
Hypothesis We developed a geometrical model to determine the theoretical maximum number of proteins that can pack as a monolayer surrounding a spherical nanoparticle. We applied our new model to study the adsorption of receptor binding domain (RBD) o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0d1bf1543533c4e3ec560228532618e
https://doi.org/10.1016/j.jcis.2021.07.072
https://doi.org/10.1016/j.jcis.2021.07.072
Autor:
Danilo, Roccatano
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 2118
This chapter contributes a short tutorial on the preparation of molecular dynamics (MD) simulations for a peptide in solution at the interface of an uncoated gold nanosurface. Specifically, the step-by-step procedure will give guidance to set up the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0fe6cfcc04e2309305e9493359e9b809
https://pubmed.ncbi.nlm.nih.gov/32152980
https://pubmed.ncbi.nlm.nih.gov/32152980
Autor:
Danilo Roccatano
Publikováno v:
Methods in Molecular Biology ISBN: 9781071603185
This chapter contributes a short tutorial on the preparation of molecular dynamics (MD) simulations for a peptide in solution at the interface of an uncoated gold nanosurface. Specifically, the step-by-step procedure will give guidance to set up the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf52a635156e05d3e7366592625ec397
https://doi.org/10.1007/978-1-0716-0319-2_14
https://doi.org/10.1007/978-1-0716-0319-2_14
Autor:
Steven Hayward, Danilo Roccatano
Citrate synthase plays a fundamental role in the metabolic cycle of the cell. Its catalytic mechanism is complex involving the binding of two substrates that cause a domain movement. In this paper, we used classical molecular dynamics simulations and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ae5421bde161512ddd4ed07a2afc939
https://ueaeprints.uea.ac.uk/id/eprint/69941/
https://ueaeprints.uea.ac.uk/id/eprint/69941/
Autor:
Enrico Ferrari, Mohammad Alkaseem, Dorothy Aboagye-Mensah, Angela Saccardo, Francesca Di Nezza, Matthew Jewkes, Wenwei Ma, Mark Baron, Mikhail Soloviev, Danilo Roccatano
Publikováno v:
Nature Communications
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Generally, the high diversity of protein properties necessitates the development of unique nanoparticle bio-conjugation methods, optimized for each different protein. Here we describe a universal bio-conjugation approach which makes use of a new reco
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc08162488ceaa0283fcee363938579e
Autor:
Danilo Roccatano
Publikováno v:
Micro and Nanomanufacturing Volume II ISBN: 9783319671307
In the last 20 years, computational chemistry has become a very important research methodology in all areas of nanoscience. Computer simulations are powerful nano-scopes that can to reveal details of molecular processes on lengths of space and time u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8107f4cda60150ba4186ca4fefcd5568
https://doi.org/10.1007/978-3-319-67132-1_6
https://doi.org/10.1007/978-3-319-67132-1_6
Publikováno v:
Biopolymers. 103:1-14
Antimicrobial peptides are promising alternative to traditional antibiotics and antitumor drugs for the battle against new antibiotic resistant bacteria strains and cancer maladies. The study of their structural and dynamics properties at physiologic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::64423e03fd5e3515b952d9726349c3f9
https://doi.org/10.1002/bip.22529
https://doi.org/10.1002/bip.22529
Publikováno v:
Biopolymers. 101:197-209
Flavocytochrome P450BM-3 is a soluble bacterial reductase composed of two flavin (FAD/FMN) and one HEME domains. In this article, we have performed molecular dynamics simulations on both the isolated FMN and HEME domains and their crystallographic co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afd9c0256e7fa475337a47a4dfc2bfa7
https://doi.org/10.1002/bip.22301
https://doi.org/10.1002/bip.22301