New space warping method for the simulation of large-scale macromolecular conformational changes
A space warping method, facilitating the modeling of large-scale conformational changes in mesoscopic systems, is presented. The method uses a set of "global (or collective) coordinates" that capture overall behavior, in conjunction with the set of atomic coordinates. Application of the sp...
| Publié dans: | Journal of computational chemistry. - 1984. - 23(2002), 4 vom: 22. März, Seite 484-91 |
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| Format: | Article |
| Langue: | English |
| Publié: |
2002
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Biopolymers Macromolecular Substances Peptides polyalanine 25191-17-7 |