QM and QM–FE simulations on reactions of relevance to enzyme catalysis: trypsin, catechol O-methyltransferase, β-lactamase and pseudouridine synthase
Author:
Publisher
Royal Society of Chemistry (RSC)
Link
http://pubs.rsc.org/en/content/articlepdf/2000/P2/A907793F
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1. How Metal Substitution Affects the Enzymatic Activity of Catechol-O-Methyltransferase;PLoS ONE;2012-10-08
2. Enzymatic Methyl Transfer: Role of an Active Site Residue in Generating Active Site Compaction That Correlates with Catalytic Efficiency;Journal of the American Chemical Society;2011-10-10
3. Biosynthesis via carbocations: Theoretical studies on terpene formation;Natural Product Reports;2011
4. Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods;Annual Review of Physical Chemistry;2008-05-01
5. Theoretical study of the hydrolysis of a model carbapenem: 1-Aza-bicyclo[3,2,1]hept-2-ent-7-one;Journal of Molecular Structure: THEOCHEM;2008-02
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