A comparison between parallelization approaches in molecular dynamics simulations on GPUs

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Optimizing DNA Nanotechnology through Coarse-Grained Modeling: A Two-Footed DNA Walker

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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

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Sequence Controlled Self-Knotting Colloidal Patchy Polymers

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Sequence-dependent thermodynamics of a coarse-grained DNA model

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Patterning symmetry in the rational design of colloidal crystals

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Highly accelerated simulations of glassy dynamics using GPUs: Caveats on limited floating-point precision

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The vibrational density of states of a disordered gel model

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Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence

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Re-entrant phase behavior for systems with competition between phase separation and self-assembly

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Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model

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Directed self-assembly of a colloidal kagome lattice

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Patchy colloids: state of the art and perspectives

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Implementing molecular dynamics on hybrid high performance computers – short range forces

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The GPU Computing Era

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GPU-accelerated molecular modeling coming of age

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DNA Nanotweezers Studied with a Coarse-Grained Model of DNA

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Sop-GPU: Accelerating biomolecular simulations in the centisecond timescale using graphics processors

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Reversible gels of patchy particles: Role of the valence

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Accelerating molecular dynamics simulations using Graphics Processing Units with CUDA

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General purpose molecular dynamics simulations fully implemented on graphics processing units

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Harvesting graphics power for MD simulations

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Role of Reversibility in Viral Capsid Growth: A Paradigm for Self-Assembly

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GPU Computing

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