Sökning: "Isabella Feierberg"

Hittade 1 avhandling innehållade orden Isabella Feierberg.

1. 1. Computational Studies of Enzymatic Enolization Reactions and Inhibitor Binding to a Malarial Protease

   Författare :Isabella Feierberg; Modesto Orozco; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; enzyme mechanism; enolate; molecular dynamics; empirical valence bond; glyoxalase I; ketosteroid isomerase; triosephosphate isomerase; malaria; aspartic protease; plasmepsin; linear interaction energy; drug design; Teoretisk kemi; Theoretical chemistry; Teoretisk kemi; Molecular Biotechnology; Molekylär bioteknik;

   Sammanfattning : Enolate formation by proton abstraction from an sp3-hybridized carbon atom situated next to a carbonyl or carboxylate group is an abundant process in nature. Since the corresponding nonenzymatic process in water is slow and unfavorable due to high intrinsic free energy barriers and high substrate pKa s, enzymes catalyzing such reaction steps must overcome both kinetic and thermodynamic obstacles. LÄS MER