Tag: Computational Biology

New Approach to Computationally Designing Drugs for GPCRs

Sep 8, 2016 |

Modeling protein interactions with drugs has long been computationally challenging. One obstacle is these interactions often take relatively long to occur and conventional molecular dynamics simulation is insufficient. This week a group of researchers, using several EXSEDE supercomputers, report a hybrid in silico-experimental approach that shows promise as a drug design tool for use with G protein-coupled receptors (GPCRs)

Gazing into Computational Biology’s Crystal Ball

Aug 23, 2016 |

Sorting out computational biology’s future is tricky. It likely won’t be singular. First-principle, mechanistic simulation has so far proven challenging but could eventually become game changing. Meanwhile pattern recognition and matching in massive ‘omics’ datasets have been extremely productive and likely to remain dominant at present. Now, an MIT professor and colleagues write that two Read more…

Extreme Computational Biology at SC13: An Interview with Dr. Klaus Schulten

Nov 18, 2013 |

According to Dr. Klaus Schulten from the University of Illinois, the molecular dynamics and visualization programs NAMD and VMD, which serve over 300,000 registered users in many fields of biology and medicine, are pushing the limits of extreme scale computational biology. Schulten says these programs can operate on a wide variety of hardware and offer Read more…

Can Google’s Page Ranking Algorithm Cure Cancer?

May 23, 2012 |

Computational biologists tweak PageRank to correlate protein markers with disease progression.

Life Sciences in San Diego Gets Analytical

Apr 14, 2010 |

A chat with Paul Rejto, head of Computational Biology at Pfizer Oncology.

NVIDIA Takes Aim at GPU Acceleration for Bioscience Applications

Jan 14, 2010 |

NVIDIA has announced the Tesla Bio Workbench, a new program designed to bring together the computational components needed to run GPU-accelerated bioscience applications. The rationale is the same one NVIDIA’s been touting ever since it got into the high performance computing business: take advantage of the superior performance of the GPU in order to lower the entry point for HPC.

Unpacking Protein Function

Apr 21, 2009 |

The Ranger supercomputer at the Texas Advanced Computing Center is helping to unravel life’s most important molecules.

More Than A Magnifying Glass

Jan 12, 2009 |

TACC and the University of Texas Southwestern Medical Center are pairing electron microscopes with supercomputing resources to open the door to biological insights.