Zobrazeno 1 - 10 of 175 pro vyhledávání: '"Carmelo Giacovazzo"'
1
Akademický článek
Extending Ab Initio Phasing up to 2.2 Å Resolution: New Superposition Techniques
Autor: Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano, Carmelo Giacovazzo, Giampiero Polidori
Publikováno v: Crystals, Vol 13, Iss 6, p 874 (2023)
Patterson superposition techniques are a historical method for solving the structures of small molecules ab initio, provided they contain heavy atoms in the unit cell. In the 1990s, they were combined with effective EDM procedures and succeeded in th
Externí odkaz: https://doaj.org/article/2e5242b8e2a2464cb19ae93d34174f68
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2
Akademický článek
Properties of Fourier Syntheses and New Syntheses
Autor: Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano, Carmelo Giacovazzo, Giampiero Polidori
Publikováno v: Crystals, Vol 10, Iss 6, p 538 (2020)
In this study, the properties of observed, difference, and hybrid syntheses (hybrid indicates a combination of observed and difference syntheses) are investigated from two points of view. The first has a statistical nature and aims to estimate the am
Externí odkaz: https://doaj.org/article/b3f6998e5f8a4f40bdac60567c1ab5ea
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3
Akademický článek
Cyclic Automated Model Building (CAB) Applied to Nucleic Acids
Autor: Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano, Carmelo Giacovazzo, Giampiero Polidori
Publikováno v: Crystals, Vol 10, Iss 4, p 280 (2020)
Obtaining high-quality models for nucleic acid structures by automated model building programs (AMB) is still a challenge. The main reasons are the rather low resolution of the diffraction data and the large number of rotatable bonds in the main chai
Externí odkaz: https://doaj.org/article/716f2770a3d849149f4b80d26e90e5b6
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4
Elektronická kniha
Phasing in Crystallography : A Modern Perspective
Autor: Carmelo Giacovazzo
Modern crystallographic methods originate from the synergy of two main research streams, the small-molecule and the macro-molecular streams. The first stream was able to definitively solve the phase problem for molecules up to 200 atoms in the asymme
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5
Towards the automatic crystal structure solution of nucleic acids: automated model building using the new CAB program
Autor: Carmelo Giacovazzo, Giovanni Luca Cascarano
Publikováno v: Acta Crystallographica Section D Structural Biology. 77:1602-1613
CAB, a recently described automated model-building (AMB) program, has been modified to work effectively with nucleic acids. To this end, several new algorithms have been introduced and the libraries have been updated. To reduce the input average phas
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83a2da8853c06a09e6792709b654311e
https://doi.org/10.1107/s2059798321010937
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6
How far are we from automatic crystal structure solution via molecular-replacement techniques?
Autor: Giampiero Polidori, Carmelo Giacovazzo, Maria Cristina Burla, Benedetta Carrozzini, Giovanni Luca Cascarano
Publikováno v: Acta Crystallographica. Section D, Structural Biology
Acta crystallographica. Section D (Online) 76 (2020): 9–18. doi:10.1107/S2059798319015468
info:cnr-pdr/source/autori:Burla, Maria Cristina; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero/titolo:How far are we from automatic crystal structure solution via molecular-replacement techniques?/doi:10.1107%2FS2059798319015468/rivista:Acta crystallographica. Section D (Online)/anno:2020/pagina_da:9/pagina_a:18/intervallo_pagine:9–18/volume:76
An automatic pipeline based on molecular-replacement phases is described for the automatic crystal structure solution of protein and DNA/RNA molecules.
Although the success of molecular-replacement techniques requires the solution of a six-dimen
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51d8b8bcc5ab54dfa3ac6d02ad481f98
http://europepmc.org/articles/PMC6939436
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7
Cyclic automated model building (CAB) applied to nucleic acids
Autor: Giampiero Polidori, Giovanni Luca Cascarano, Carmelo Giacovazzo, Benedetta Carrozzini, Maria Cristina Burla
Publikováno v: Crystals (Basel) 10 (2020): 280–+. doi:10.3390/cryst10040280
info:cnr-pdr/source/autori:Burla, Maria Cristina; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero/titolo:Cyclic automated model building (CAB) applied to nucleic acids/doi:10.3390%2Fcryst10040280/rivista:Crystals (Basel)/anno:2020/pagina_da:280/pagina_a:+/intervallo_pagine:280–+/volume:10
Crystals
Volume 10
Issue 4
Crystals, Vol 10, Iss 280, p 280 (2020)
Obtaining high-quality models for nucleic acid structures by automated model building programs (AMB) is still a challenge. The main reasons are the rather low resolution of the diffraction data and the large number of rotatable bonds in the main chai
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d26822d226ce23b756e2c7d49e7f3530
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8
Phasingviapure crystallographic least squares: an unexpected feature
Autor: Giampiero Polidori, Carmelo Giacovazzo, Benedetta Carrozzini, Maria Cristina Burla, Giovanni Luca Cascarano
Publikováno v: Acta crystallographica. Section A, Foundations of crystallography 74 (2018): 123–130. doi:10.1107/S2053273318001407
info:cnr-pdr/source/autori:Burla M.C.; Carrozzini B.; Cascarano G.L.; Giacovazzo C.; Polidori G./titolo:Phasing via pure crystallographic least squares: An unexpected feature/doi:10.1107%2FS2053273318001407/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2018/pagina_da:123/pagina_a:130/intervallo_pagine:123–130/volume:74
Crystallographic least-squares techniques, the main tool for crystal structure refinement of small and medium-size molecules, are for the first time used for ab initio phasing. It is shown that the chief obstacle to such use, the least-squares severe
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf81619aa9276c6a17adb0c8d048870e
https://doi.org/10.1107/s2053273318001407
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9
Properties of Fourier Syntheses and New Syntheses
Autor: Carmelo Giacovazzo, Benedetta Carrozzini, Maria Cristina Burla, Giampiero Polidori, Giovanni Luca Cascarano
Publikováno v: Crystals
Volume 10
Issue 6
Crystals (Basel) 10 (2020): 538–+. doi:10.3390/cryst10060538
info:cnr-pdr/source/autori:Burla, Maria Cristina; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero/titolo:Properties of Fourier Syntheses and New Syntheses/doi:10.3390%2Fcryst10060538/rivista:Crystals (Basel)/anno:2020/pagina_da:538/pagina_a:+/intervallo_pagine:538–+/volume:10
Crystals, Vol 10, Iss 538, p 538 (2020)
In this study, the properties of observed, difference, and hybrid syntheses (hybrid indicates a combination of observed and difference syntheses) are investigated from two points of view. The first has a statistical nature and aims to estimate the am
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::794fc037f5bf01623fc8055a9413dece
https://doi.org/10.3390/cryst10060538
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10
Updating direct methods
Autor: Carmelo Giacovazzo
Publikováno v: Acta crystallographica. Section A, Foundations and advances. 75(Pt 1)
The standard method of joint probability distribution functions, so crucial for the development of direct methods, has been revisited and updated. It consists of three steps: identification of the reflections which may contribute to the estimation of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a63fd2f1ca592da711dd11a70a37e395
https://pubmed.ncbi.nlm.nih.gov/30575592
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