Hermann JC - Search Results

1

QM/MM modelling of oleamide hydrolysis in fatty acid amide hydrolase (FAAH) reveals a new mechanism of nucleophile activation.

Lodola A, Mor M, Hermann JC, Tarzia G, Piomelli D, Mulholland AJ. Lodola A, et al. Among authors: hermann jc. Chem Commun (Camb). 2005 Sep 21;(35):4399-401. doi: 10.1039/b503887a. Epub 2005 Jul 11. Chem Commun (Camb). 2005. PMID: 16136230 Free article.

2

Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction.

Ranaghan KE, Ridder L, Szefczyk B, Sokalski WA, Hermann JC, Mulholland AJ. Ranaghan KE, et al. Among authors: hermann jc. Org Biomol Chem. 2004 Apr 7;2(7):968-80. doi: 10.1039/b313759g. Epub 2004 Mar 3. Org Biomol Chem. 2004. PMID: 15034619

3

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin.

Hermann JC, Hensen C, Ridder L, Mulholland AJ, Höltje HD. Hermann JC, et al. J Am Chem Soc. 2005 Mar 30;127(12):4454-65. doi: 10.1021/ja044210d. J Am Chem Soc. 2005. PMID: 15783228

4

Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase.

Hermann JC, Ridder L, Höltje HD, Mulholland AJ. Hermann JC, et al. Org Biomol Chem. 2006 Jan 21;4(2):206-10. doi: 10.1039/b512969a. Epub 2005 Dec 9. Org Biomol Chem. 2006. PMID: 16391762

5

Identification of Glu166 as the general base in the acylation reaction of class A beta-lactamases through QM/MM modeling.

Hermann JC, Ridder L, Mulholland AJ, Höltje HD. Hermann JC, et al. J Am Chem Soc. 2003 Aug 13;125(32):9590-1. doi: 10.1021/ja034434g. J Am Chem Soc. 2003. PMID: 12904016

6

High level QM/MM modeling of the formation of the tetrahedral intermediate in the acylation of wild type and K73A mutant TEM-1 class A beta-lactamase.

Hermann JC, Pradon J, Harvey JN, Mulholland AJ. Hermann JC, et al. J Phys Chem A. 2009 Oct 29;113(43):11984-94. doi: 10.1021/jp9037254. J Phys Chem A. 2009. PMID: 19791786

7

A combined QM/MM approach to protein--ligand interactions: polarization effects of the HIV-1 protease on selected high affinity inhibitors.

Hensen C, Hermann JC, Nam K, Ma S, Gao J, Höltje HD. Hensen C, et al. Among authors: hermann jc. J Med Chem. 2004 Dec 30;47(27):6673-80. doi: 10.1021/jm0497343. J Med Chem. 2004. PMID: 15615516

8

Predicting substrates by docking high-energy intermediates to enzyme structures.

Hermann JC, Ghanem E, Li Y, Raushel FM, Irwin JJ, Shoichet BK. Hermann JC, et al. J Am Chem Soc. 2006 Dec 13;128(49):15882-91. doi: 10.1021/ja065860f. J Am Chem Soc. 2006. PMID: 17147401

9

Resolution of chiral phosphate, phosphonate, and phosphinate esters by an enantioselective enzyme library.

Nowlan C, Li Y, Hermann JC, Evans T, Carpenter J, Ghanem E, Shoichet BK, Raushel FM. Nowlan C, et al. Among authors: hermann jc. J Am Chem Soc. 2006 Dec 13;128(49):15892-902. doi: 10.1021/ja0658618. J Am Chem Soc. 2006. PMID: 17147402

10

Structure-based activity prediction for an enzyme of unknown function.

Hermann JC, Marti-Arbona R, Fedorov AA, Fedorov E, Almo SC, Shoichet BK, Raushel FM. Hermann JC, et al. Nature. 2007 Aug 16;448(7155):775-9. doi: 10.1038/nature05981. Epub 2007 Jul 1. Nature. 2007. PMID: 17603473 Free PMC article.

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