Non-adiabatic dynamics of interfacial systems: a case study of a nanoparticle penetration into a lipid bilayer

Molecular Transport through Surfactant-Covered Oil−Water Interfaces: Role of Physical Properties of Solutes and Surfactants in Creating Energy Barriers for Transport

(2011) Yong Nam Ahn et al.   LANGMUIR

Dominant reaction pathways in high-dimensional systems

(2009) E. Autieri et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of carbon nanoparticles on lipid membranes: a molecular simulation perspective

(2009) Luca Monticelli et al.   Soft Matter

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Passive Transport of C60Fullerenes through a Lipid Membrane:  A Molecular Dynamics Simulation Study

(2008) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Blocking of Carbon Nanotube Based Nanoinjectors by Lipids: A Simulation Study

(2008) E. Jayne Wallace et al.   NANO LETTERS

Computer simulation study of fullerene translocation through lipid membranes

(2008) Jirasak Wong-Ekkabut et al.   Nature Nanotechnology

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation