| GIASSA, Ilektra-Chara, Andrea VAVRINSKÁ, Jiří ZELINKA, Jakub ŠEBERA, Vladimír SYCHROVSKÝ, Rolf BOELENS, Radovan FIALA and Lukáš TRANTÍREK. HERMES - A Software Tool for the Prediction and Analysis of Magnetic-Field-Induced Residual Dipolar Couplings in Nucleic Acids. ChemPlusChem. Weinheim: Wiley - Verlag Chemie, 2020, vol. 85, No 9, p. 2177-2185. ISSN 2192-6506. Available from: https://dx.doi.org/10.1002/cplu.202000505. |
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@article{1729960,
author = {Giassa, IlektraandChara and Vavrinská, Andrea and Zelinka, Jiří and Šebera, Jakub and Sychrovský, Vladimír and Boelens, Rolf and Fiala, Radovan and Trantírek, Lukáš},
article_location = {Weinheim},
article_number = {9},
doi = {http://dx.doi.org/10.1002/cplu.202000505},
keywords = {field-induced residual dipolar couplings; magnetic susceptibility anisotropy; NMR; nucleic acids; prediction software},
language = {eng},
issn = {2192-6506},
journal = {ChemPlusChem},
title = {HERMES - A Software Tool for the Prediction and Analysis of Magnetic-Field-Induced Residual Dipolar Couplings in Nucleic Acids},
url = {https://doi.org/10.1002/cplu.202000505},
volume = {85},
year = {2020}
}
TY - JOUR
ID - 1729960
AU - Giassa, Ilektra-Chara - Vavrinská, Andrea - Zelinka, Jiří - Šebera, Jakub - Sychrovský, Vladimír - Boelens, Rolf - Fiala, Radovan - Trantírek, Lukáš
PY - 2020
TI - HERMES - A Software Tool for the Prediction and Analysis of Magnetic-Field-Induced Residual Dipolar Couplings in Nucleic Acids
JF - ChemPlusChem
VL - 85
IS - 9
SP - 2177-2185
EP - 2177-2185
PB - Wiley - Verlag Chemie
SN - 21926506
KW - field-induced residual dipolar couplings
KW - magnetic susceptibility anisotropy
KW - NMR
KW - nucleic acids
KW - prediction software
UR - https://doi.org/10.1002/cplu.202000505
L2 - https://doi.org/10.1002/cplu.202000505
N2 - Field-Induced Residual Dipolar Couplings (fiRDC) are a valuable source of long-range information on structure of nucleic acids (NA) in solution. A web application (HERMES) was developed for structure-based prediction and analysis of the (fiRDCs) in NA. fiRDC prediction is based on input 3D model structure(s) of NA and a built-in library of nucleobase-specific magnetic susceptibility tensors and reference geometries. HERMES allows three basic applications: (i) the prediction of fiRDCs for a given structural model of NAs, (ii) the validation of experimental or modeled NA structures using experimentally derived fiRDCs, and (iii) assessment of the oligomeric state of the NA fragment and/or the identification of a molecular NA model that is consistent with experimentally derived fiRDC data. Additionally, the program's built-in routine for rigid body modeling allows the evaluation of relative orientation of domains within NA that is in agreement with experimental fiRDCs.
ER -
GIASSA, Ilektra-Chara, Andrea VAVRINSKÁ, Jiří ZELINKA, Jakub ŠEBERA, Vladimír SYCHROVSKÝ, Rolf BOELENS, Radovan FIALA and Lukáš TRANTÍREK. HERMES - A Software Tool for the Prediction and Analysis of Magnetic-Field-Induced Residual Dipolar Couplings in Nucleic Acids. \textit{ChemPlusChem}. Weinheim: Wiley - Verlag Chemie, 2020, vol.~85, No~9, p.~2177-2185. ISSN~2192-6506. Available from: https://dx.doi.org/10.1002/cplu.202000505.
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