August 23, 2018
August 23, 2018 —
The CIPRES science gateway, which supports major discoveries about evolutionary relationships among our planet’s living creatures, has been awarded grants from the National Science Foundation (NSF) and the National Institutes of Health (NIH) that will provide more than $2.8 million to sustain and enhance the gateway.
June 13, 2018
June 13, 2018 —
A team led by researchers at UC San Diego’s Department of Chemistry and Biochemistry and SDSC has used machine learning techniques to develop models for simulations of water with “unprecedented accuracy.” Published online in The Journal of Chemical Physics, the research demonstrates how popular ML techniques can be used to construct predictive molecular models based on quantum mechanical reference data.
April 30, 2018
April 30, 2018 —
By stretching the amount of time proteins can be simulated in their natural state of wiggling and gyrating, a team of researchers at Colorado State University -- using supercomputers at the San Diego Supercomputer Center at UC San Diego and the Pittsburgh Supercomputing Center -- has identified a critical protein structure that could serve as a molecular Achilles heel able to inhibit the replication of dengue virus and potentially other flaviviruses such as West Nile and Zika virus.
April 30, 2018
April 30, 2018 —
By stretching the amount of time proteins can be simulated in their natural state of wiggling and gyrating, a team of researchers at Colorado State University -- using supercomputers at the San Diego Supercomputer Center at UC San Diego and the Pittsburgh Supercomputing Center -- has identified a critical protein structure that could serve as a molecular Achilles heel able to inhibit the replication of dengue virus and potentially other flaviviruses such as West Nile and Zika virus.
March 6, 2018
March 6, 2018 —
The study, published in the March 5 online edition of the Proceedings of the National Academy of Sciences (PNAS), describes how the supercomputing power of Gordon, Comet, and GPU clusters, all based at the San Diego Supercomputer Center at UC San Diego, were used with improved accelerated molecular dynamics (aMD) or Gaussian aMD (GaMD) to simulate the merger of a G-protein “mimetic nanobody” to a G-protein-coupled receptor (GPCR), the largest and most diverse group of membrane receptors in animals, plants, fungi, and protozoa.
March 6, 2018
March 6, 2018 —
The study, published in the March 5 online edition of the Proceedings of the National Academy of Sciences (PNAS), describes how the supercomputing power of Gordon, Comet, and GPU clusters, all based at the San Diego Supercomputer Center at UC San Diego, were used with improved accelerated molecular dynamics (aMD) or Gaussian aMD (GaMD) to simulate the merger of a G-protein “mimetic nanobody” to a G-protein-coupled receptor (GPCR), the largest and most diverse group of membrane receptors in animals, plants, fungi, and protozoa.
November 1, 2017
November 1, 2017 —
Spanning two years, from March 2015 to February 2017, CAIDA researchers and their collaborators found that about one-third of the IPv4 address space was subject to some kind of DoS attacks, where a perpetrator maliciously disrupts services of a host connected to the internet.
October 9, 2017
October 9, 2017 —
CIPRES, for CyberInfrastructure for Phylogenetic RESearch, is a web-based portal or “gateway” launched by the San Diego Supercomputer Center at UC San Diego that allows researchers to explore evolutionary connections among species. Over 20,000 users from 86 countries have run one or more jobs using CIPRES, generating about 3,500 peer-reviewed publications in journals.
June 28, 2017
June 28, 2017 —
Using a novel molecular dynamics method capable of capturing the motion of gyrating proteins at time intervals up to one thousand times greater than previous efforts, a team led by UC San Diego researchers has identified, for the first time, the myriad structural changes that activate and drive CRISPR-Cas9, the innovative gene-splicing technology that’s transforming the field of genetic engineering. SDSC’s ‘Comet’ supercomputer was used to helps break the “millisecond barrier” for complex biological simulations.
