Tag: molecular dynamics

Biomedical Simulation at PSC Gets Major Performance Boost with Anton 2

Feb 5, 2016 |

Simulating even small biological systems has long proven computationally difficult. Practically speaking, data-driven bioinformatics such as DNA sequence analysis has progressed more rapidly. Development of Anton 1, the ASIC-based supercomputer specifically designed for simulating molecular dynamics by D. E. Shaw Research (DESRES) in 2008, was a major advance. In 2010 DESRES provided an Anton machine Read more…

A Heterogeneous Approach to Molecular Dynamics

May 22, 2014 |

As director of the biophysics program at Stanford University, Vijay Pande understands that cloud is no replacement for supercomputers like the petascale Blue Waters machine, but the scientist is having success using loosely-coupled cloudy cores for molecular dynamics research. Pande has been using the Blue Waters system at the National Center for Supercomputing Applications (NCSA) Read more…

Modeling Proteins at Supercomputing Speeds on Your PC

Aug 21, 2012 |

A clever molecular dynamics algorithm and GPU computing delivers HPC to the desktop

GPUs Accelerate Scientific Progress

Nov 4, 2010 |

Originally designed for video games, GPUs are now making their mark in the world of chemistry.

The Week in Review

May 6, 2010 |

D.E. Shaw Research loans specialized supercomputer to Pittsburgh Supercomputing Center for biomolecular research, while NIH provides the operating funds; and NCSA climate change models show earth’s temperatures are rising in response to human activity, but it’s not too late to act. We recap those stories and more in our weekly wrapup.

Graphics Card Maker Turns to High-Performance Bioinformatics

Mar 9, 2010 |

Tahoe Informatics founder eyes GPUs, CUDA software.

Inside the Swine Flu Virus

Jun 8, 2009 |

Researchers are using TACC’s Ranger supercomputer to discover how viral mutations lead to drug resistance.