A NEW APPROACH TO HOMOLOGY MODELING

The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key c...
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Autor*in:	YI HE [verfasserIn] H. A. SCHERAGA [verfasserIn] S. RACKOVSKY [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2014

Schlagwörter:	protein structure prediction physical properties Kidera factors Fourier transformation coarse-grained force field

Übergeordnetes Werk:	In: TASK Quarterly - Gdańsk University of Technology, 2022, 18(2014), 3
Übergeordnetes Werk:	volume:18 ; year:2014 ; number:3

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.17466/TQ2014/18.3/A

Katalog-ID:	DOAJ04458301X

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spelling	10.17466/TQ2014/18.3/A doi (DE-627)DOAJ04458301X (DE-599)DOAJc754e60d6d7549e69f9864f4e159c57a DE-627 ger DE-627 rakwb eng T58.5-58.64 YI HE verfasserin aut A NEW APPROACH TO HOMOLOGY MODELING 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction. protein structure prediction physical properties Kidera factors Fourier transformation coarse-grained force field Information technology H. A. SCHERAGA verfasserin aut S. RACKOVSKY verfasserin aut In TASK Quarterly Gdańsk University of Technology, 2022 18(2014), 3 (DE-627)601534212 (DE-600)2498556-9 14286394 nnns volume:18 year:2014 number:3 https://doi.org/10.17466/TQ2014/18.3/A kostenfrei https://doaj.org/article/c754e60d6d7549e69f9864f4e159c57a kostenfrei https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1904 kostenfrei https://doaj.org/toc/1428-6394 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 18 2014 3
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allfieldsGer	10.17466/TQ2014/18.3/A doi (DE-627)DOAJ04458301X (DE-599)DOAJc754e60d6d7549e69f9864f4e159c57a DE-627 ger DE-627 rakwb eng T58.5-58.64 YI HE verfasserin aut A NEW APPROACH TO HOMOLOGY MODELING 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction. protein structure prediction physical properties Kidera factors Fourier transformation coarse-grained force field Information technology H. A. SCHERAGA verfasserin aut S. RACKOVSKY verfasserin aut In TASK Quarterly Gdańsk University of Technology, 2022 18(2014), 3 (DE-627)601534212 (DE-600)2498556-9 14286394 nnns volume:18 year:2014 number:3 https://doi.org/10.17466/TQ2014/18.3/A kostenfrei https://doaj.org/article/c754e60d6d7549e69f9864f4e159c57a kostenfrei https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1904 kostenfrei https://doaj.org/toc/1428-6394 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 18 2014 3
allfieldsSound	10.17466/TQ2014/18.3/A doi (DE-627)DOAJ04458301X (DE-599)DOAJc754e60d6d7549e69f9864f4e159c57a DE-627 ger DE-627 rakwb eng T58.5-58.64 YI HE verfasserin aut A NEW APPROACH TO HOMOLOGY MODELING 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction. protein structure prediction physical properties Kidera factors Fourier transformation coarse-grained force field Information technology H. A. SCHERAGA verfasserin aut S. RACKOVSKY verfasserin aut In TASK Quarterly Gdańsk University of Technology, 2022 18(2014), 3 (DE-627)601534212 (DE-600)2498556-9 14286394 nnns volume:18 year:2014 number:3 https://doi.org/10.17466/TQ2014/18.3/A kostenfrei https://doaj.org/article/c754e60d6d7549e69f9864f4e159c57a kostenfrei https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1904 kostenfrei https://doaj.org/toc/1428-6394 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 18 2014 3
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callnumber-first	T - Technology
author	YI HE
spellingShingle	YI HE misc T58.5-58.64 misc protein structure prediction misc physical properties misc Kidera factors misc Fourier transformation misc coarse-grained force field misc Information technology A NEW APPROACH TO HOMOLOGY MODELING
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topic_title	T58.5-58.64 A NEW APPROACH TO HOMOLOGY MODELING protein structure prediction physical properties Kidera factors Fourier transformation coarse-grained force field
topic	misc T58.5-58.64 misc protein structure prediction misc physical properties misc Kidera factors misc Fourier transformation misc coarse-grained force field misc Information technology
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title	A NEW APPROACH TO HOMOLOGY MODELING
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title_auth	A NEW APPROACH TO HOMOLOGY MODELING
abstract	The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction.
abstractGer	The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction.
abstract_unstemmed	The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction.
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