PubRank

Michael J Sutcliffe

Author PubWeight™ 63.90‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Atomic description of an enzyme reaction dominated by proton tunneling. Science 2006 2.84
2 Cytochrome P450 6M2 from the malaria vector Anopheles gambiae metabolizes pyrethroids: Sequential metabolism of deltamethrin revealed. Insect Biochem Mol Biol 2011 1.59
3 TRAIL receptor-selective mutants signal to apoptosis via TRAIL-R1 in primary lymphoid malignancies. Cancer Res 2005 1.29
4 Cysteine substitution mutagenesis and the effects of methanethiosulfonate reagents at P2X2 and P2X4 receptors support a core common mode of ATP action at P2X receptors. J Biol Chem 2008 1.20
5 Extensive conformational sampling in a ternary electron transfer complex. Nat Struct Biol 2003 1.17
6 Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction. J Am Chem Soc 2009 1.17
7 Direct analysis of donor-acceptor distance and relationship to isotope effects and the force constant for barrier compression in enzymatic H-tunneling reactions. J Am Chem Soc 2010 1.16
8 Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects. Proc Natl Acad Sci U S A 2007 1.16
9 Deep tunneling dominates the biologically important hydride transfer reaction from NADH to FMN in morphinone reductase. J Am Chem Soc 2008 1.11
10 The preponderance of P450s in the Mycobacterium tuberculosis genome. Trends Microbiol 2006 1.11
11 Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations. Biochemistry 2008 1.10
12 Drug block of the hERG potassium channel: insight from modeling. Proteins 2007 1.09
13 Alpha-secondary isotope effects as probes of "tunneling-ready" configurations in enzymatic H-tunneling: insight from environmentally coupled tunneling models. J Am Chem Soc 2006 1.08
14 Drug binding interactions in the inner cavity of HERG channels: molecular insights from structure-activity relationships of clofilium and ibutilide analogs. Mol Pharmacol 2005 1.03
15 H-tunneling in the multiple H-transfers of the catalytic cycle of morphinone reductase and in the reductive half-reaction of the homologous pentaerythritol tetranitrate reductase. J Biol Chem 2003 1.02
16 Hydrogen tunneling in quinoproteins. Arch Biochem Biophys 2004 1.02
17 Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6. J Biol Chem 2002 1.00
18 Protein-protein interactions. Biochem Soc Trans 2010 0.98
19 Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms. J Am Chem Soc 2007 0.98
20 Thermodynamic and biophysical characterization of cytochrome P450 BioI from Bacillus subtilis. Biochemistry 2004 0.97
21 Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment. J Phys Chem B 2007 0.95
22 In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by comedications commonly used by patients with cancer. Drug Metab Dispos 2006 0.95
23 Barrier compression enhances an enzymatic hydrogen-transfer reaction. Angew Chem Int Ed Engl 2009 0.94
24 Activation gating of hERG potassium channels: S6 glycines are not required as gating hinges. J Biol Chem 2007 0.93
25 Contribution of conserved glycine residues to ATP action at human P2X1 receptors: mutagenesis indicates that the glycine at position 250 is important for channel function. J Neurochem 2005 0.93
26 The enzyme aromatic amine dehydrogenase induces a substrate conformation crucial for promoting vibration that significantly reduces the effective potential energy barrier to proton transfer. J R Soc Interface 2008 0.93
27 Multiple substrate binding by cytochrome P450 3A4: estimation of the number of bound substrate molecules. Drug Metab Dispos 2008 0.92
28 Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis. Biophys J 2010 0.90
29 How does pressure affect barrier compression and isotope effects in an enzymatic hydrogen tunneling reaction? Angew Chem Int Ed Engl 2011 0.89
30 Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation. Biochem Soc Trans 2008 0.89
31 Spermine is fit to block inward rectifier (Kir) channels. J Gen Physiol 2003 0.89
32 Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite. Biochem J 2004 0.88
33 Parallel pathways and free-energy landscapes for enzymatic hydride transfer probed by hydrostatic pressure. Chembiochem 2009 0.87
34 Driving force analysis of proton tunnelling across a reactivity series for an enzyme-substrate complex. Chembiochem 2008 0.87
35 How do azoles inhibit cytochrome P450 enzymes? A density functional study. J Phys Chem A 2008 0.86
36 Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: oxidation of tryptamine by aromatic amine dehydrogenase. J Phys Chem B 2007 0.86
37 Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding. J Biol Chem 2005 0.85
38 Are environmentally coupled enzymatic hydrogen tunneling reactions influenced by changes in solution viscosity? Angew Chem Int Ed Engl 2008 0.85
39 Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6. Proteins 2002 0.85
40 Large-scale domain conformational change is coupled to the activation of the Co-C bond in the B12-dependent enzyme ornithine 4,5-aminomutase: a computational study. J Am Chem Soc 2012 0.85
41 Molecular mechanisms for drug interactions with hERG that cause long QT syndrome. Expert Opin Drug Metab Toxicol 2006 0.83
42 Effects of multiple ligand binding on kinetic isotope effects in PQQ-dependent methanol dehydrogenase. Biochemistry 2003 0.83
43 Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase. Chemphyschem 2008 0.83
44 CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G0/G1 inhibiting pRB phosphorylation. Bioorg Med Chem Lett 2006 0.82
45 In silico prediction of drug binding to CYP2D6: identification of a new metabolite of metoclopramide. Drug Metab Dispos 2006 0.82
46 Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition. J Med Chem 2004 0.82
47 Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. Chemphyschem 2008 0.82
48 Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction. J Phys Org Chem 2010 0.82
49 Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase. Chemphyschem 2007 0.82
50 Inhibition of cancer cell growth by cyclin dependent kinase 4 inhibitors synthesized based on the structure of fascaplysin. Bioorg Chem 2006 0.81
51 In silico methods for predicting ligand binding determinants of cytochromes P450. Curr Top Med Chem 2004 0.81
52 Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex. Proteins 2011 0.80
53 New fascaplysin-based CDK4-specific inhibitors: design, synthesis and biological activity. Chem Commun (Camb) 2004 0.80
54 Quantum catalysis in enzymes: beyond the transition state theory paradigm. A Discussion Meeting held at the Royal Society on 14 and 15 November 2005. J R Soc Interface 2006 0.80
55 Pressure effects on enzyme-catalyzed quantum tunneling events arise from protein-specific structural and dynamic changes. J Am Chem Soc 2012 0.80
56 Progress in cytochrome P450 active site modeling. Arch Biochem Biophys 2005 0.80
57 Calculating chemically accurate redox potentials for engineered flavoproteins from classical molecular dynamics free energy simulations. J Phys Chem A 2008 0.79
58 Comparative modelling of cytochromes P450. Adv Drug Deliv Rev 2002 0.79
59 Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin. Org Biomol Chem 2006 0.79
60 Quantum mechanics/molecular mechanics studies on the sulfoxidation of dimethyl sulfide by compound I and compound 0 of cytochrome P450: which is the better oxidant? J Phys Chem A 2009 0.78
61 Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa. Planta Med 2008 0.78
62 Role of conserved Asp293 of cytochrome P450 2C9 in substrate recognition and catalytic activity. Biochem J 2003 0.78
63 Role of active site residues and solvent in proton transfer and the modulation of flavin reduction potential in bacterial morphinone reductase. J Biol Chem 2005 0.78
64 Quantum mechanics/molecular mechanics studies on the mechanism of action of cofactor pyridoxal 5'-phosphate in ornithine 4,5-aminomutase. Chemistry 2014 0.77
65 In-silico characterization of the effects of phosphorylated tyrosines 86 and 106 on structure and binding of MAL: insight into hyperinflammatory response to infection by the human malaria parasites. J Recept Signal Transduct Res 2010 0.77
66 New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study. Chem Commun (Camb) 2010 0.76
67 Electron transfer and conformational change in complexes of trimethylamine dehydrogenase and electron transferring flavoprotein. J Biol Chem 2001 0.76
68 Kinetic isotope effects and ligand binding in PQQ-dependent methanol dehydrogenase. Biochem J 2005 0.75
69 Insights into drug metabolism from modelling studies of cytochrome P450-drug interactions. Curr Top Med Chem 2006 0.75
70 Flavin radicals, conformational sampling and robust design principles in interprotein electron transfer: the trimethylamine dehydrogenase-electron-transferring flavoprotein complex. Biochem Soc Symp 2004 0.75
71 New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates. J Biol Chem 2007 0.75
72 A copper-bottomed trafficking solution. Structure 2004 0.75
73 Assignment of the vibrational spectra of enzyme-bound tryptophan tryptophyl quinones using a combined QM/MM approach. J Phys Chem A 2010 0.75