In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic Function
Abstract
:1. Introduction
2. Effect of Small Molecule Interactions on Protein Structure, Function, and Dynamics
2.1. Protein Solvation in Enzyme Catalysis
2.1.1. Hydration Shell Dynamics
2.1.2. Conserved Water Molecules and Non-Aqueous Solvent
2.2. Molecular Recognition in Enzyme Catalysis
2.2.1. Substrate Access and Binding
2.2.2. Cofactor Binding
2.2.3. Allosteric Sites
3. Concluding Remarks
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Verma, R.; Mitchell-Koch, K. In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic Function. Catalysts 2017, 7, 212. https://doi.org/10.3390/catal7070212
Verma R, Mitchell-Koch K. In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic Function. Catalysts. 2017; 7(7):212. https://doi.org/10.3390/catal7070212
Chicago/Turabian StyleVerma, Rajni, and Katie Mitchell-Koch. 2017. "In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic Function" Catalysts 7, no. 7: 212. https://doi.org/10.3390/catal7070212