Publications
2006
Moitessier N, Westhof E, Hanessian S
Docking of aminoglycosides to hydrated and flexible RNA Article de journal
Dans: J Med Chem, vol. 49, no. 3, p. 1023-1033, 2006, ISBN: 16451068, (0022-2623 (Print) Journal Article).
Résumé | Liens | BibTeX | Étiquettes: Molecular Nucleic Acid Conformation RNA/*chemistry Research Support, Non-U.S. Gov't Thermodynamics Water/*chemistry, Unité ARN, WESTHOF Aminoglycosides/*chemistry Anti-Bacterial Agents/*chemistry Crystallography, X-Ray *Models
@article{,
title = {Docking of aminoglycosides to hydrated and flexible RNA},
author = {N Moitessier and E Westhof and S Hanessian},
url = {http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&dopt=Citation&list_uids=16451068},
isbn = {16451068},
year = {2006},
date = {2006-01-01},
journal = {J Med Chem},
volume = {49},
number = {3},
pages = {1023-1033},
abstract = {Although much effort has been devoted to the development of programs suited for the docking of ligands to proteins, much less progress has been achieved in the nucleic acid field. We have developed a unique approach for docking aminoglycosides to RNA considering the flexibility of these macromolecules using conformational ensembles and accounting for the role of the first hydration shell. This concept, successfully implemented in AutoDock, relies on the computation of the intermolecular interaction energy that accounts for the presence of dynamically bound water molecules to the RNA. As an application, a set of 11 aminoglycosides was docked with an average root-mean-square deviation (RMSD) of 1.41 A to be compared with an average RMSD of 3.25 A when the original AutoDock protocol was used.},
note = {0022-2623 (Print)
Journal Article},
keywords = {Molecular Nucleic Acid Conformation RNA/*chemistry Research Support, Non-U.S. Gov't Thermodynamics Water/*chemistry, Unité ARN, WESTHOF Aminoglycosides/*chemistry Anti-Bacterial Agents/*chemistry Crystallography, X-Ray *Models},
pubstate = {published},
tppubtype = {article}
}
Leontis N B, Lescoute A, Westhof E
The building blocks and motifs of RNA architecture Article de journal
Dans: Curr Opin Struct Biol, vol. 16, no. 3, p. 279-287, 2006, ISBN: 16713707, (0959-440X (Print) Journal Article Review).
Résumé | Liens | BibTeX | Étiquettes: ase Pairing Base Sequence Computational Biology/methods Conserved Sequence *Models, Extramural Research Support, Molecular Nucleic Acid Conformation RNA/*chemistry Research Support, N.I.H., Non-U.S. Gov't, Unité ARN, WESTHOF
@article{,
title = {The building blocks and motifs of RNA architecture},
author = {N B Leontis and A Lescoute and E Westhof},
url = {http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&dopt=Citation&list_uids=16713707},
isbn = {16713707},
year = {2006},
date = {2006-01-01},
journal = {Curr Opin Struct Biol},
volume = {16},
number = {3},
pages = {279-287},
abstract = {RNA motifs can be defined broadly as recurrent structural elements containing multiple intramolecular RNA-RNA interactions, as observed in atomic-resolution RNA structures. They constitute the modular building blocks of RNA architecture, which is organized hierarchically. Recent work has focused on analyzing RNA backbone conformations to identify, define and search for new instances of recurrent motifs in X-ray structures. One current view asserts that recurrent RNA strand segments with characteristic backbone configurations qualify as independent motifs. Other considerations indicate that, to characterize modular motifs, one must take into account the larger structural context of such strand segments. This follows the biologically relevant motivation, which is to identify RNA structural characteristics that are subject to sequence constraints and that thus relate RNA architectures to sequences.},
note = {0959-440X (Print)
Journal Article
Review},
keywords = {ase Pairing Base Sequence Computational Biology/methods Conserved Sequence *Models, Extramural Research Support, Molecular Nucleic Acid Conformation RNA/*chemistry Research Support, N.I.H., Non-U.S. Gov't, Unité ARN, WESTHOF},
pubstate = {published},
tppubtype = {article}
}