Sökning: "DFPase"

Hittade 1 avhandling innehållade ordet DFPase.

1. 1. Computational Modeling of the Mechanisms and Selectivity of Organophosphate Hydrolases

   Författare :Miha Purg; Shina C. Lynn Kamerlin; Iñaki Tuñón; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Organophosphate Hydrolase; Computational enzymology; MPH; DFPase; PON1; Empirical Valence Bond; EVB;

   Sammanfattning : Computational modeling is becoming an increasingly integral part of (bio)chemistry, providing a powerful complementary view into the dynamics, binding, and reactivity of biochemical systems. In particular, molecular simulations based on multiscale models are now regularly employed in studies of enzymatic reactions, offering invaluable mechanistic insight through the lens of molecular energy landscapes. LÄS MER