Published in Phys Chem Chem Phys on June 25, 2010
Adaptive multiscale molecular dynamics of macromolecular fluids. Phys Rev Lett (2010) 1.40
Formamide hydrolysis in alkaline aqueous solution: insight from Ab initio metadynamics calculations. Angew Chem Int Ed Engl (2006) 1.03
Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study. Biophys J (2005) 1.01
The reweighted path ensemble. J Chem Phys (2010) 0.99
Structure and dynamics of model pore insertion into a membrane. Biophys J (2005) 0.98
Proton shuttles and phosphatase activity in soluble epoxide hydrolase. J Am Chem Soc (2007) 0.92
Self-assembling cyclic peptides: molecular dynamics studies of dimers in polar and nonpolar solvents. J Phys Chem B (2006) 0.89
Recent progress in adaptive multiscale molecular dynamics simulations of soft matter. Phys Chem Chem Phys (2010) 0.89
O2 evolution in the Fenton reaction. Chemistry (2003) 0.84
Nonlinear reaction coordinate analysis in the reweighted path ensemble. J Chem Phys (2010) 0.82
Path finding on high-dimensional free energy landscapes. Phys Rev Lett (2012) 0.82
Computational study of phosphatase activity in soluble epoxide hydrolase: high efficiency through a water bridge mediated proton shuttle. J Am Chem Soc (2005) 0.79
Acidity constants of lumiflavin from first principles molecular dynamics simulations. Phys Chem Chem Phys (2014) 0.77
A simple coarse-grained model for self-assembling silk-like protein fibers. Faraday Discuss (2010) 0.75
On the slowdown mechanism of water dynamics around small amphiphiles. Phys Chem Chem Phys (2015) 0.75
Do solid-to-solid polymorphic transitions in dl-norleucine proceed through nucleation? Faraday Discuss (2015) 0.75
On the "tertiary structure" of poly-carbenes; self-assembly of sp3-carbon-based polymers into liquid-crystalline aggregates. Chemistry (2013) 0.75
Non-adiabatic reactions: general discussion. Faraday Discuss (2016) 0.75
New methods: general discussion. Faraday Discuss (2016) 0.75