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Mulholland Adrian J.
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http://hub.abes.fr/acs/periodical/jacsat/1995/volume_117/issue_16/101021ja00121a029/authorship/3
http://hub.abes.fr/acs/periodical/jpcbfk/2007/volume_111/issue_11/101021jp067898k/authorship/4
http://hub.abes.fr/acs/periodical/jpcbfk/2007/volume_111/issue_44/101021jp0743469/authorship/5
http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_50/101021jp8016908/authorship/2
http://hub.abes.fr/oup/periodical/proeng/1993/volume_6/issue_2/101093protein62133/authorship/1
http://hub.abes.fr/acs/periodical/jacsat/2004/volume_126/issue_49/101021ja049376t/authorship/2
http://hub.abes.fr/acs/periodical/jacsat/2005/volume_127/issue_37/101021ja0520924/authorship/3
http://hub.abes.fr/acs/periodical/jacsat/2002/volume_124/issue_33/101021ja0256360/authorship/4
http://hub.abes.fr/acs/periodical/jacsat/2003/volume_125/issue_49/101021ja035590q/authorship/3
http://hub.abes.fr/acs/periodical/jacsat/2005/volume_127/issue_12/101021ja044210d/authorship/4
http://hub.abes.fr/acs/periodical/jacsat/1998/volume_120/issue_30/101021ja980639r/authorship/2
http://hub.abes.fr/acs/periodical/bichaw/2007/volume_46/issue_21/101021bi0622827/authorship/5
http://hub.abes.fr/acs/periodical/jacsat/2003/volume_125/issue_32/101021ja034434g/authorship/3
http://hub.abes.fr/acs/periodical/jacsat/2000/volume_122/issue_3/101021ja992874v/authorship/1
http://hub.abes.fr/acs/periodical/jacsat/2000/volume_122/issue_36/101021ja0007814/authorship/2
http://hub.abes.fr/acs/periodical/jpcbfk/1998/volume_102/issue_34/101021jp981121c/authorship/1
http://hub.abes.fr/acs/periodical/jacsat/1995/volume_117/issue_45/101021ja00150a037/authorship/2
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Combined Quantum and Molecular Mechanical Study of DNA Crosslinking by Nitrous Acid
Aromatic Hydroxylation by Cytochrome P450: Model Calculations ofMechanism and Substituent Effects
Tunneling and Classical Paths for Proton Transfer in an Enzyme Reaction Dominated byTunneling: Oxidation of Tryptamine by Aromatic Amine Dehydrogenase
Quantum Mechanical/Molecular Mechanical Free EnergySimulations of the Glutathione S-Transferase (M1-1) Reactionwith Phenanthrene 9,10-Oxide
Identification of Glu166 as the General Base in the Acylation Reaction ofClass A β-Lactamases through QM/MM Modeling
Mechanisms of Antibiotic Resistance: QM/MM Modeling ofthe Acylation Reaction of a Class A β-Lactamase withBenzylpenicillin
Modeling Enzyme Reaction Intermediates and Transition States: Citrate Synthase
Comparison of Different Quantum Mechanical/Molecular Mechanics Boundary Treatmentsin the Reaction of the Hepatitis C Virus NS3 Protease with the NS5A/5B Substrate
A Quantum Mechanical/Molecular Mechanical Study of theHydroxylation of Phenol and Halogenated Derivatives by PhenolHydroxylase
Computer modelling of enzyme catalysed reaction mechanisms
Correlation of Calculated Activation Energies withExperimental Rate Constants for an EnzymeCatalyzed Aromatic Hydroxylation
Electronic Structure of Compound I in Human Isoforms ofCytochrome P450 from QM/MM Modeling
Molecular Determinants of Xenobiotic Metabolism: QM/MM Simulation of theConversion of 1-Chloro-2,4-dinitrobenzene Catalyzed by M1-1 GlutathioneS-Transferase
Differential Transition-State Stabilization in EnzymeCatalysis: Quantum Chemical Analysis of Interactions in theChorismate Mutase Reaction and Prediction of theOptimal Catalytic Field
Ab Initio QM/MM Study of the Citrate SynthaseMechanism. A Low-Barrier Hydrogen Bond Is notInvolved
QM/MM Modeling of Benzene Hydroxylation in Human Cytochrome P450 2C9
Insights into Chorismate Mutase Catalysis from a Combined QM/MM Simulation of the Enzyme Reaction
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