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Disambiguation of "Mulholland, A. J."

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COMPUTER MODELING OF ENZYME CATALYZED REACTION-MECHANISMS

, , and . PROTEIN ENGINEERING, 6 (2): 133--147 (1993)

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J A Werner

A J Zensus

Manuel J A Eugster

Manuel J A Eugster

Jacobus A L J J Geijsen

 

Other publications of authors with the same name

Modeling biotransformation reactions by combined quantum mechanical/molecular mechanical approaches: From structure to activity, and . CURRENT TOPICS IN MEDICINAL CHEMISTRY, 3 (11): 1241--1256 (2003)A quantum mechanical/molecular mechanical study of the hydroxylation of phenol and halogenated derivatives by phenol hydroxylase, , , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 122 (36): 8728--8738 (2000)INSIGHTS INTO CHORISMATE MUTASE CATALYSIS FROM A COMBINED QM/MM SIMULATION OF THE ENZYME REACTION, , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 117 (45): 11345--11350 (1995)Acetyl-CoA enolization in citrate synthase: A quantum mechanical molecular mechanical (QM/MM) study, and . PROTEINS-STRUCTURE FUNCTION AND GENETICS, 27 (1): 9--25 (1997)Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction, , , , , and . ORGANIC & BIOMOLECULAR CHEMISTRY, 2 (7): 968--980 (2004)COMPUTER MODELING OF ENZYME CATALYZED REACTION-MECHANISMS, , and . PROTEIN ENGINEERING, 6 (2): 133--147 (1993)Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase, , , and . ORGANIC & BIOMOLECULAR CHEMISTRY, (January 2006)Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin, , , , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, (March 2005)Modelling enzyme reaction mechanisms, specificity and catalysis. DRUG DISCOVERY TODAY, (October 2005)Quantum mechanical/molecular mechanical free energy Simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide, , , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 124 (33): 9926--9936 (2002)