Academic Journal
Stochastic modeling of macromolecules in solution. II. Spectral densities
| العنوان: | Stochastic modeling of macromolecules in solution. II. Spectral densities |
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| المؤلفون: | Polimeno, Antonino, Zerbetto, Mirco, Abergel, Daniel |
| المساهمون: | Dipartimento di Scienze Chimiche Padova, Università degli Studi di Padova = University of Padua (Unipd), Laboratoire des biomolécules (LBM UMR 7203), Chimie Moléculaire de Paris Centre (FR 2769), École normale supérieure - Paris (ENS-PSL), Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris Sciences et Lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris Sciences et Lettres (PSL)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure - Paris (ENS-PSL), Université Paris Sciences et Lettres (PSL)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Département de Chimie - ENS-PSL, Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS) |
| المصدر: | ISSN: 0021-9606. |
| بيانات النشر: | CCSD American Institute of Physics |
| سنة النشر: | 2019 |
| مصطلحات موضوعية: | [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry |
| الوصف: | International audience ; In a companion paper 1 we have proposed a general approach for interpreting relaxation properties of a macromolecule in solution, derived from an atomistic description. A simple model (the semi-flexible Brownian, SFB, approach) has been defined, for the case of limited internal flexibility, but retaining full coupling with external degrees of freedom, inclusion of all of the momenta, and dissipation. Here we discuss the application of the SFB model to the practical evaluation of orientation spectral densities, based on two complementary computational treatments. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1063/1.5077066 |
| الاتاحة: | https://hal.science/hal-02414649 https://hal.science/hal-02414649v1/document https://hal.science/hal-02414649v1/file/Salem2AIP.pdf https://doi.org/10.1063/1.5077066 |
| Rights: | info:eu-repo/semantics/OpenAccess |
| رقم الانضمام: | edsbas.2B3A6009 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1063/1.5077066 |
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