CHARMM parameters for Aib and Iva residues

Isabelle Segalas Isabelle.Segalas at
Fri Jan 19 03:31:56 EST 1996

Dear X-plor users,

We are engaged in 3D structure determination from NMR data of peptides
containing Aib (alpha-aminoisobutyric acid) and Iva (isovaline)
Did anybody optimize the parameters in CHARMM force field for those
residues ?
Thank you in advance
Sincerely yours

Dr Isabelle SEGALAS
Centre Regional de Spectroscopie de Haute-Normandie
Laboratoire de RMN et Modelisation Moleculaire
UFR des Sciences - Batiment de chimie
e-MAil : Isabelle.Segalas at
Tel : (33) 35 14 67 91
Fax : (33) 35 14 65 33 

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