Computational Approaches for Protein Dynamics and Function
Proteins are fascinating structures that operate at the nanoscale in a complex environment and are involved in an astonishingly wide variety of functions, from ion transport to enzymatic catalysis, metabolism, neurotransmission, and many more functions. Understanding these peculiar functionalities a...
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| Format: | Online |
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| Sprog: | engelsk |
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MDPI - Multidisciplinary Digital Publishing Institute
2025
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| Online adgang: | ONIX_20250220_9783725825554_330 |
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| _version_ | 1869519830080552960 |
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| collection | Directory of Open Access Books |
| description | Proteins are fascinating structures that operate at the nanoscale in a complex environment and are involved in an astonishingly wide variety of functions, from ion transport to enzymatic catalysis, metabolism, neurotransmission, and many more functions. Understanding these peculiar functionalities at the single-protein level requires advanced experimental and computational techniques. In the era of high-performance computing, computational methods are particularly well suited to investigating the structure and dynamics of proteins and unravelling how they enable biological functions. Molecular Dynamics (MD), Normal Mode Analysis (NMA), and Elastic Network Models (ENMs) are just a few examples of the computational methodologies that we can use to elucidate protein conformational dynamics, allostery, the impact of mutations, and many other fascinating subjects. This Special Issue comprises eight peer-reviewed papers demonstrating how various computational approaches can be employed to address the ultimate and most crucial question: how do proteins work? |
| format | Online |
| id | doab-20.500.12854ir-152966 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1529662025-02-20T13:21:26Z Computational Approaches for Protein Dynamics and Function Jernigan, Robert Scaramozzino, Domenico Protein dynamics protein function protein flexibility protein conformational change protein mutation allostery molecular dynamics normal mode analysis elastic network model protein contact network protein-ligand interaction protein-protein interaction. thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PS Biology, life sciences Proteins are fascinating structures that operate at the nanoscale in a complex environment and are involved in an astonishingly wide variety of functions, from ion transport to enzymatic catalysis, metabolism, neurotransmission, and many more functions. Understanding these peculiar functionalities at the single-protein level requires advanced experimental and computational techniques. In the era of high-performance computing, computational methods are particularly well suited to investigating the structure and dynamics of proteins and unravelling how they enable biological functions. Molecular Dynamics (MD), Normal Mode Analysis (NMA), and Elastic Network Models (ENMs) are just a few examples of the computational methodologies that we can use to elucidate protein conformational dynamics, allostery, the impact of mutations, and many other fascinating subjects. This Special Issue comprises eight peer-reviewed papers demonstrating how various computational approaches can be employed to address the ultimate and most crucial question: how do proteins work? 2025-02-20T13:21:23Z 2025-02-20T13:21:23Z 2024 book ONIX_20250220_9783725825554_330 9783725825554 9783725825561 https://directory.doabooks.org/handle/20.500.12854/152966 eng application/octet-stream Attribution 4.0 International https://mdpi.com/books/pdfview/book/10151 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-7258-2556-1 10.3390/books978-3-7258-2556-1 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783725825554 9783725825561 134 Basel open access |
| spellingShingle | Protein dynamics protein function protein flexibility protein conformational change protein mutation allostery molecular dynamics normal mode analysis elastic network model protein contact network protein-ligand interaction protein-protein interaction. thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PS Biology, life sciences Computational Approaches for Protein Dynamics and Function |
| title | Computational Approaches for Protein Dynamics and Function |
| title_full | Computational Approaches for Protein Dynamics and Function |
| title_fullStr | Computational Approaches for Protein Dynamics and Function |
| title_full_unstemmed | Computational Approaches for Protein Dynamics and Function |
| title_short | Computational Approaches for Protein Dynamics and Function |
| title_sort | computational approaches for protein dynamics and function |
| topic | Protein dynamics protein function protein flexibility protein conformational change protein mutation allostery molecular dynamics normal mode analysis elastic network model protein contact network protein-ligand interaction protein-protein interaction. thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PS Biology, life sciences |
| topic_facet | Protein dynamics protein function protein flexibility protein conformational change protein mutation allostery molecular dynamics normal mode analysis elastic network model protein contact network protein-ligand interaction protein-protein interaction. thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PS Biology, life sciences |
| url | ONIX_20250220_9783725825554_330 |