Résumé
Barino's flexible molecular fitting program FMFIT is significantly revised by the use of the distance matrix algorithm. The implementation of a new program, Improved or Interactive Flexible Molecule Fit (IFMFIT), into an in-house molecular modelling system is detailed. An application is presented relevant to the field of computer-aided drug design studies. The possibility of chemical and spatial equivalences between functional groups of rigid opiates and those of conformationally constrained cyclic analogues of enkephalin is demonstrated.
langue originale | Anglais |
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Pages (de - à) | 194-199 |
Nombre de pages | 6 |
journal | Journal of Molecular graphics |
Volume | 4 |
Numéro de publication | 4 |
Les DOIs | |
Etat de la publication | Publié - 1986 |