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Computational structural biology, biophysics, and drug design

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Tag Archives: Isoprenoid Synthases

149.

Posted on October 21, 2016 by jacobson66

B. X. Tian, C. D. Poulter, and M. P. Jacobson. “Defining the Product Chemical Space of Monoterpenoid Synthases”, PLoS Computational Biology, 12 (2016) e1005053.  PMC4982680

Posted in Enzyme Function Prediction | Tagged Isoprenoid Synthases, QM

138.

Posted on June 30, 2015 by jacobson66

J.-Y. Chow, B.-X. Tian, G. Ramamoorthy, B. S. Hillerich, R. D. Seidel, S. C. Almo, M. P. Jacobson, and C. D. Poulter.  “Computational-guided discovery and characterization of a sesquiterpene synthase from Streptomyces clavuligerus”, PNAS 112 (2015) 5661-5666.  PMC4426440

Posted in Enzyme Function Prediction | Tagged Docking, Isoprenoid Synthases, QM

137.

Posted on June 30, 2015 by jacobson66

G. Ramamoorthy, M. L. Pugh, B.-X. Tian, R. M. Phan, L. B. Perez, M. P. Jacobson, and C. D. Poulter.  “Synthesis and Enzymatic Studies of Bisubstrate Analogues for Farnesyl Diphosphate Synthase”, Journal of Organic Chemistry, 80 (2015) 3902-3913.  Pubmed

Posted in Enzyme Function Prediction | Tagged Docking, Isoprenoid Synthases

132.

Posted on June 30, 2015 by jacobson66

B. Tian, F. H. Wallrapp, G. L. Holiday, J.-Y.Chow, P. C. Babbitt, C. D. Poulter, and M. P. Jacobson.  “Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-Intermediate Docking Approach”, PLoS Computational Biology, 10 (2014) e1003874.  PMC25299649

Posted in Enzyme Function Prediction | Tagged Docking, Isoprenoid Synthases

127.

Posted on June 30, 2015 by jacobson66

M. P. Jacobson, C. Kalyanaraman, S. Zhao, and B. Tian.  “Leveraging structure for enzyme function prediction: methods, opportunities and challenges”, Trends in Biochemical Sciences 39 (2014), 363-371.  Online  PMC4117707

Posted in Enzyme Function Prediction | Tagged Isoprenoid Synthases, Review/Perspective

107.

Posted on June 30, 2015 by jacobson66

F. H. Wallrapp, J.-J. Pan, G. Ramamoorthy, D. E. Almonacid, B. S. Hillerich, R. Seidel, Y. Patskovsky, P. C. Babbitt, S. C. Almo, M. P. Jacobson and C. D. Poulter. “Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily”.  PNAS, 110 (2013) E1196-E1202.  Open access  PMC3612614

Posted in Enzyme Function Prediction, Protein Structure Prediction | Tagged Docking, Isoprenoid Synthases
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