Highly Dissociative and Concerted Mechanism for the Nicotinamide Cleavage Reaction in Sir2Tm Enzyme Suggested by Ab Initio QM/MM Molecular Dynamics Simulations

Journal of the American Chemical Society - United States
doi 10.1021/ja807269j
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

2H1515 Protein Driven Photoisomerization Reaction : Ab Initio QM/MM Study of Retinal Proteins

Seibutsu Butsuri
2002English

Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Reaction Mechanism of the Bioluminescent Protein Mnemiopsin1 Revealed by X-Ray Crystallography and QM/MM Simulations

Journal of Biological Chemistry
BiochemistryCell BiologyMolecular Biology
2018English

Formation of N-Doped C60 Studied by Ab Initio Molecular Dynamics Simulations

Materials Transactions
Mechanics of MaterialsMaterials ScienceCondensed Matter PhysicsMechanical Engineering
2001English

Unravelling the Nature of Glyphosate Binding to Goethite Surfaces by Ab Initio Molecular Dynamics Simulations

2017English

Action-Derived Ab Initio Molecular Dynamics

International Journal of Applied Mechanics
Mechanics of MaterialsMaterials ScienceMechanical Engineering
2009English

Time-Reversible Ab Initio Molecular Dynamics

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2007English

Ultrafast Intersystem Crossing Dynamics in Uracil Unravelled by Ab Initio Molecular Dynamics

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

QM/MM Study on Cleavage Mechanism Catalyzed by Zika Virus NS2B/NS3 Serine Protease

Biophysical Journal
Biophysics
2019English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy