scholarly journals Planarity and out-of-plane vibrational modes of tryptophan and tyrosine in biomolecular modeling

2019 ◽  
Vol 21 (43) ◽  
pp. 23943-23965 ◽  
Author(s):  
Faramarz Joodaki ◽  
Lenore M. Martin ◽  
Michael L. Greenfield
Keyword(s):  
Experimental Data ◽  
Aqueous Solutions ◽  
Normal Mode ◽  
Force Fields ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Vibrational Modes ◽  
Heteroaromatic Ring ◽  
Out Of Plane ◽  
Biomolecular Modeling

Vibrations of tryptophan and tyrosine are analyzed to quantify magnitudes of heteroaromatic ring out-of-plane fluctuations in MD of aqueous solutions. Frequencies from normal-mode analysis are compared to experimental data for modified force fields.

RAMAN SPECTRA OF TITANIUM DI-, TRI-, AND TETRA-CHLORIDES

2001 ◽  
Vol 15 (28n30) ◽  
pp. 3865-3868 ◽  
Author(s):  
H. MIYAOKA ◽  
T. KUZE ◽  
H. SANO ◽  
H. MORI ◽  
G. MIZUTANI ◽  
...  
Keyword(s):  
Force Constant ◽  
Raman Spectra ◽  
Normal Mode ◽  
Raman Band ◽  
Normal Mode Analysis ◽  
Force Constants ◽  
Mode Analysis ◽  
Oxidation Number

We have obtained the Raman spectra of TiCl n (n= 2, 3, and 4). Assignments of the observed Raman bands were made by a normal mode analysis. The force constants were determined from the observed Raman band frequencies. We have found that the Ti-Cl stretching force constant increases as the oxidation number of the Ti species increases.

scholarly journals Normal mode analysis of spectral density of FMO trimers: Intra- and intermonomer energy transfer

2020 ◽  
Vol 153 (21) ◽  
pp. 215103
Author(s):  
Alexander Klinger ◽  
Dominik Lindorfer ◽  
Frank Müh ◽  
Thomas Renger
Keyword(s):  
Energy Transfer ◽  
Spectral Density ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

scholarly journals Normal-mode analysis for scalar fields in BTZ black-hole background

2009 ◽  
Vol 60 (2) ◽  
pp. 169-173 ◽  
Author(s):  
Sayan K. Chakrabarti ◽  
Pulak Ranjan Giri ◽  
Kumar S. Gupta
Keyword(s):  
Black Hole ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Scalar Fields ◽  
Mode Analysis ◽  
Btz Black Hole ◽  
Black Hole Background

scholarly journals Rapid Characterization of Allosteric Networks with Ensemble Normal Mode Analysis

2016 ◽  
Vol 120 (33) ◽  
pp. 8276-8288 ◽  
Author(s):  
Xin-Qiu Yao ◽  
Lars Skjærven ◽  
Barry J. Grant
Keyword(s):  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Rapid Characterization

Normal Mode Analysis of Trp RNA Binding Attenuation Protein: Structure and Collective Motions

2011 ◽  
Vol 51 (9) ◽  
pp. 2361-2371 ◽  
Author(s):  
Guang Hu ◽  
Servaas Michielssens ◽  
Samuel L. C. Moors ◽  
Arnout Ceulemans
Keyword(s):  
Protein Structure ◽  
Normal Mode ◽  
Rna Binding ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Collective Motions
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