GIASSA, Ilektra-Chara, Andrea VAVRINSKÁ, Jiří ZELINKA, Jakub ŠEBERA, Vladimír SYCHROVSKÝ, Rolf BOELENS, Radovan FIALA a 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, roč. 85, č. 9, s. 2177-2185. ISSN 2192-6506. Dostupné z: 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 a 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, roč.~85, č.~9, s.~2177-2185. ISSN~2192-6506. Dostupné z: https://dx.doi.org/10.1002/cplu.202000505.
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