Biocatalysis: chemical physics of enzymatic reactions
Doctoral study programme Materials / Graduate school
- A. Warshel, Computer Modeling of Chemical Reactions in Enzymes and Solutions, J. Wiley & Sons, Inc., New York, 1991. Catalogue
- J. B. Foresman, Æ Frisch, Exploring Chemistry with Electronic Structure Methods, 3rd ed., Gaussian, Inc.: Wallingford, CT, 2015. Catalogue E-version
- Y. Kulkarni, S. C. L. Kamerlin, Computational physical organic chemistry using the empirical valence bond approach, Adv. Phys. Org. Chem. 2019, 53, 69-104. https://doi.org/10.1016/bs.apoc.2019.07.001
- V. V. Welborn, L. Ruiz Pestana, T. Head-Gordon, Computational Optimization of Electric Fields for Better Catalysis Design. Nat. Catal. 2018, 1, 649-655. https://doi.org/10.1038/s41929-018-0109-2
- A. Warshel, R. P. Bora, Perspective: Defining and quantifying the role of dynamics in enzyme catalysis, J. Chem. Phys. 2016, 144, 180901-1-17. https://doi.org/10.1063/1.4947037 E-version
- G. Jindal et al., Exploring the challenges of computational enzyme design by rebuilding the active site of a dehalogenase, PNAS 2019, 116, 389-394. https://doi.org/10.1073/pnas.1804979115 E-version
The literature will be regularly updated by including recent review articles and web pages related to this course, published in last five years.