Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics
This study investigates the density of states and structural characteristics of helical homopolymers. Comprising repeating identical units, the model enables the exploration of complex behaviors arising from a simple, yet generalized, set of potentials. Utilizing microcanonical analysis, transitions...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-09-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/15/19/3870 |
| _version_ | 1797575284364410880 |
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| author | Matthew J. Williams |
| author_facet | Matthew J. Williams |
| author_sort | Matthew J. Williams |
| collection | DOAJ |
| description | This study investigates the density of states and structural characteristics of helical homopolymers. Comprising repeating identical units, the model enables the exploration of complex behaviors arising from a simple, yet generalized, set of potentials. Utilizing microcanonical analysis, transitions between helical structures are identified and categorized. Through a systematic comparison of results under varying conditions, we develop a nuanced understanding of the system’s general behavior. A two-dimensional plot illustrates the relative distribution of different structural types, effectively showcasing their prevalence. The findings of this study substantially advance our understanding of the density of states and structural transformations of helical homopolymers across a range of conditions. Additionally, the prevalence plot offers valuable insights into the occurrence of suppressed intermediate states, particularly in models featuring stiff helix segments. This research significantly enhances our understanding of the complex interactions governing helix bundling phenomena within the context of helical homopolymers. |
| first_indexed | 2024-03-10T21:36:26Z |
| format | Article |
| id | doaj.art-117a8d36d138415fa4c9cfa93198d71f |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-10T21:36:26Z |
| publishDate | 2023-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-117a8d36d138415fa4c9cfa93198d71f2023-11-19T14:55:42ZengMDPI AGPolymers2073-43602023-09-011519387010.3390/polym15193870Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural CharacteristicsMatthew J. Williams0Institute of Engineering, Murray State University, Murray, KY 42071, USAThis study investigates the density of states and structural characteristics of helical homopolymers. Comprising repeating identical units, the model enables the exploration of complex behaviors arising from a simple, yet generalized, set of potentials. Utilizing microcanonical analysis, transitions between helical structures are identified and categorized. Through a systematic comparison of results under varying conditions, we develop a nuanced understanding of the system’s general behavior. A two-dimensional plot illustrates the relative distribution of different structural types, effectively showcasing their prevalence. The findings of this study substantially advance our understanding of the density of states and structural transformations of helical homopolymers across a range of conditions. Additionally, the prevalence plot offers valuable insights into the occurrence of suppressed intermediate states, particularly in models featuring stiff helix segments. This research significantly enhances our understanding of the complex interactions governing helix bundling phenomena within the context of helical homopolymers.https://www.mdpi.com/2073-4360/15/19/3870semiflexible polymersconformational phasesphase transitionshelical polymersMonte Carlo simulationsmicrocanonical analysis |
| spellingShingle | Matthew J. Williams Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics Polymers semiflexible polymers conformational phases phase transitions helical polymers Monte Carlo simulations microcanonical analysis |
| title | Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics |
| title_full | Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics |
| title_fullStr | Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics |
| title_full_unstemmed | Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics |
| title_short | Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics |
| title_sort | microcanonical analysis of helical homopolymers exploring the density of states and structural characteristics |
| topic | semiflexible polymers conformational phases phase transitions helical polymers Monte Carlo simulations microcanonical analysis |
| url | https://www.mdpi.com/2073-4360/15/19/3870 |
| work_keys_str_mv | AT matthewjwilliams microcanonicalanalysisofhelicalhomopolymersexploringthedensityofstatesandstructuralcharacteristics |