| Protein Motions through Eigenanalyses: A Set of Study Cases | |
Abstract/OtherAbstract
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The study of collective motions of molecules provides useful insights into the large amplitude conformational changes the molecules experiment during chemical reactions. In particular, theoretical normal modes analyses of proteins taking into account the lowestfrequency modes may help to predict the nature of such conformational changes. This work lists a set of proteins for which the theoretical motion history has been examined. Focus is given on the computation of low-frequency modes (eigenvalues and eigenvectors) using a code based on the Lanczos algorithm. The normal modes approach and the main ideas governing the technique employed to compute the required modes are first outlined. Then, five distinct cases ranging from 396 to 8528 atoms are discussed. Finally, guidelines for the eigenanalyses of similar problems are proposed. y CERFACS, Centre Europ'een de Recherche et de Formation Avanc'ee en Calcul Scientifique, 42 av. G. Coriolis, 31057 Toulouse Cedex, France, e-mail: marques@... |
Authors
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Yves-henri Sanejou,Osni A. Marques,Yves-henri Sanejouand |
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Contributors
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The Pennsylvania State University CiteSeer Archives |
Publication Detail
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Publisher : unknown Type : - Format : ps |
Date Detail
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1996-07-16 |
Subject
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Yves-henri Sanejou,Osni A. Marques,Yves-henri Sanejouand Protein Motions through Eigenanalyses: A Set of Study Cases |
Coverage
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Relation
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Source
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ftp://ftp.cerfacs.fr/pub/algo/reports/TR_PA_95_32.ps.gz |
Copyright Information
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unrestricted |
Other Details
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Languages : en |
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