Status report on the quantum chemical cluster approach for modeling enzyme reactions
Fahmi Himo, Sam P. de Visser
Abstract
The cluster approach is a very valuable technique for elucidating reaction mechanisms of enzymes. Here, the authors discuss the current status of this methodology, highlighting its strengths and weaknesses, and argue that it should be the method of choice for investigating enzymatic reaction mechanisms.
Topics & Concepts
Strengths and weaknessesCluster (spacecraft)Biochemical engineeringComputational biologyEnzymeComputer scienceChemistryEnzyme catalysisManagement scienceComputational chemistryBiologyBiochemistryPsychologyEngineeringSocial psychologyProgramming languageMetal-Catalyzed Oxygenation MechanismsPhotosynthetic Processes and MechanismsMetalloenzymes and iron-sulfur proteins