Published in J Am Chem Soc on July 26, 2007
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Curvature generation and pressure profile modulation in membrane by lysolipids: insights from coarse-grained simulations. Biophys J (2009) 1.05
Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer. Phys Chem Chem Phys (2005) 1.04
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Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations. Biochim Biophys Acta (2009) 0.97
Hydrogen elimination from a hydroxycyclopentadienyl ruthenium(II) hydride: study of hydrogen activation in a ligand-metal bifunctional hydrogenation catalyst. J Am Chem Soc (2005) 0.96
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A new coarse-grained model for water: the importance of electrostatic interactions. J Phys Chem B (2010) 0.85
Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily. J Am Chem Soc (2013) 0.84
A comparison of coarse-grained and continuum models for membrane bending in lipid bilayer fusion pores. Biophys J (2013) 0.84
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Why do arginine and lysine organize lipids differently? Insights from coarse-grained and atomistic simulations. J Phys Chem B (2013) 0.83
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Electronic properties and desolvation penalties of metal ions plus protein electrostatics dictate the metal binding affinity and selectivity in the copper efflux regulator. J Am Chem Soc (2010) 0.82
Sequence-dependent interaction of β-peptides with membranes. J Phys Chem B (2010) 0.82
Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A. Biophys J (2013) 0.82
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Contribution of electrostatics to the binding of pancreatic-type ribonucleases to membranes. Biochemistry (2013) 0.82
Mechanosensitive channels: insights from continuum-based simulations. Cell Biochem Biophys (2008) 0.82
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