A QM/MM study on the reaction pathway leading to 2-Aceto-2-hydroxybutyrate in the catalytic cycle of AHAS

Significant Catalytic Roles for Glu47 and Gln 110 in All Four of the C−C Bond-Making and -Breaking Steps of the Reactions of Acetohydroxyacid Synthase II

(2011) Maria Vyazmensky et al.   BIOCHEMISTRY

Solid-State Nuclear Magnetic Resonance Studies Delineate the Role of the Protein in Activation of Both Aromatic Rings of Thiamin

(2011) Anand Balakrishnan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase

(2011) Gonzalo Jaña et al.   Computational and Theoretical Chemistry

Solid-State NMR and Density Functional Theory Studies of Ionization States of Thiamin

(2010) Sivakumar Paramasivam et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Rational Protein Design of ThDP-Dependent Enzymes—Engineering Stereoselectivity

(2008) Dörte Gocke et al.   CHEMBIOCHEM