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Exploring the landscape of model representations
Identification_Information:
Citation:
Citation_Information:
Originator:The Pennsylvania State University
Publication_Date:2020
Title:
Exploring the landscape of model representations
Other_Citation_Details:
Katherine Kidder and William Noid
Online_Linkage: http://www.datacommons.psu.edu
Description:
Abstract: 
The success of any physical model critically depends upon adopting an appropriate representation for the phenomenon of interest. Unfortunately, it remains generally challenging to identify the essential degrees of freedom or, equivalently, the proper order parameters for describing complex phenomena. Here we develop a statistical physics framework for exploring and quantitatively characterizing the space of order parameters for representing physical systems. Specifically, we examine the space of low-resolution representations that correspond to particle based coarse-grained (CG) models for a simple microscopic model of protein fluctuations. We employ Monte Carlo (MC) methods
to sample this space and determine the density of states for CG representations as a function of their ability to preserve the configurational information, I, and large-scale fluctuations, Q, of the microscopic model. These two metrics are uncorrelated in high-resolution representations but become anticorrelated at lower resolutions. Moreover, our MC simulations suggest an emergent length scale for coarse-graining proteins, as well as a qualitative distinction between good and bad representations of proteins. Finally, we relate our work to recent approaches for clustering graphs and detecting communities in networks.
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Single_Date/Time:
Calendar_Date:2020
Currentness_Reference: 
publication date
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Theme:
Theme_Keyword_Thesaurus:ISO 19115 Topic Categories
Theme_Keyword:biota
Access_Constraints:None.
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The University excludes any and all implied warranties, including warranties or merchantability and fitness for a particular purpose.
The University makes no warranty or representation, either express or implied, with respect to the FILES or accompanying documentation, including its quality, performance, merchantability, or fitness for a particular purpose. The FILES and documentation are provided "as is" and the USER assumes the entire risk as to its quality and performance.
The University will not be liable for any direct, indirect, special, incidental, or consequential damages arising out of the use or inability to use the FILES or any accompanying documentation.
The USER is granted permission to translate and add value to the FILES for the use of the FILES on its computer hardware; provided, however, that the USER annually notify the University of any customizing or value-adding work done.
Point_of_Contact:
Contact_Information:
Contact_Person_Primary:
Contact_Person:Katherine Kidder
Contact_Organization:Penn State
Contact_Address:
Address_Type:mailing address
Address: 
528 Chemistry Building
City:University Park
State_or_Province:Pennsylvania
Postal_Code:16802
Country:USA
Contact_Electronic_Mail_Address:kmk619@psu.edu
Contact Instructions: 
Katherine Kidder and William Noid
Native_Data_Set_Environment:
Microsoft Windows 2000 Version 5.0 (Build 2195) Service Pack 4; ESRI ArcCatalog 8.3.0.800
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Distribution_Information:
Distributor:
Contact_Information:
Contact_Person_Primary:
Contact_Organization:Penn State Data Commons
Contact_Address:
Address_Type:mailing and physical address
Address: 
115 Land and Water Building
City:University Park
State_or_Province:Pennsylvania
Postal_Code:16802
Country:United States
Contact_Voice_Telephone:(814) 865 - 8792
Contact_Electronic_Mail_Address:datacommons@psu.edu
Distribution_Liability: 
The USER shall indemnify, save harmless, and, if requested, defend those parties involved with the development and distribution of this data, their officers, agents, and employees from and against any suits, claims, or actions for injury, death, or property damage arising out of the use of or any defect in the FILES or any accompanying documentation. Those parties involved with the development and distribution excluded any and all implied warranties, including warranties or merchantability and fitness for a particular purpose and makes no warranty or representation, either express or implied, with respect to the FILES or accompanying documentation, including its quality, performance, merchantability, or fitness for a particular purpose. The FILES and documentation are provided "as is" and the USER assumes the entire risk as to its quality and performance. Those parties involved with the development and distribution of this data will not be liable for any direct, indirect, special, incidental, or consequential damages arising out of the use or inability to use the FILES or any accompanying documentation.
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Metadata_Reference_Information:
Metadata_Contact:
Contact_Information:
Contact_Organization_Primary:
Contact_Organization:Penn State Data Commons
Contact_Position:Metadata Coordinator
Contact_Address:
Address_Type:mailing address
Address: 
115 Land and Water Building
City:University Park
State_or_Province:Pennsylvania
Postal_Code:16802
Country:United States
Contact_Voice_Telephone:814-865-8792
Contact_Electronic_Mail_Address:datacommons@psu.edu
Metadata_Standard_Name:FGDC Content Standards for Digital Geospatial Metadata
Metadata_Standard_Version:FGDC-STD-001-1998
Metadata_Time_Convention:local time
Metadata_Extensions:
Profile_Name:ESRI Metadata Profile
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