849773-63-3Relevant articles and documents
Amber force field implementation, molecular modelling study, synthesis and MMP-1/MMP-2 inhibition profile of (R)- and (S)-N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)-3-methylbutanamides
Tuccinardi, Tiziano,Martinelli, Adriano,Nuti, Elisa,Carelli, Paolo,Balzano, Federica,Uccello-Barretta, Gloria,Murphy, Gillian,Rossello, Armando
, p. 4260 - 4276 (2007/10/03)
Ab initio calculations (B3LYP/Lanl2DZ level of theory) were performed in this study to determine all the structural and catalytic zinc parameters required in order to study MMPs and their complexes with hydroxamate inhibitors by means of the AMBER force f