Citation
S. Alcaro et al., Conformational search of antisense nucleotides, BIOORG MED, 11(17), 2001, pp. 2273-2277
Citations number
16
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
ISSN journal
0960894X
→ ACNP
Volume
11
Issue
17
Year of publication
2001
Pages
2273 - 2277
Database
ISI
SICI code
0960-894X(20010903)11:17<2273:CSOAN>2.0.ZU;2-X
Abstract
A preliminary MMFF implementation of selenium atom parameters necessary to
model the nucleoside I is reported. X-ray structures of two compounds I and
2 have been used as references. Ab initio methods have been adopted for ch
ecking torsional energy profile and charge distribution. Monte Carlo calcul
ations and energy minimization in solvation complete the conformational sea
rch. (C) 2001 Elsevier Science Ltd. All rights reserved.