𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Combined molecular mechanics, molecular dynamics and quantum mechanical study of (+)-multifidene structure and conformation

✍ Scribed by Marino, Tiziana; Russo, Nino; Sicilia, Emilia

Book ID
126674053
Publisher
Taylor and Francis Group
Year
2004
Tongue
English
Weight
181 KB
Volume
20
Category
Article
ISSN
0275-7540

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## Abstract Various quantum mechanical/molecular mechanical (QM/MM) geometry optimizations starting from an x‐ray crystal structure and from the snapshot structures of constrained molecular dynamics (MD) simulations have been performed to characterize two dynamically stable active site structures o