Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Vivek Balasubramanian"'
Autor:
Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha
Publikováno v:
BMC Bioinformatics, Vol 19, Iss S18, Pp 33-45 (2018)
Abstract Background Resistance to chemotherapy and molecularly targeted therapies is a major factor in limiting the effectiveness of cancer treatment. In many cases, resistance can be linked to genetic changes in target proteins, either pre-existing
Externí odkaz:
https://doaj.org/article/ed23a44c1e604c5da2d52bdae461bfe1
Publikováno v:
Computing in Science & Engineering. 21:62-75
This paper describes a building blocks approach to the design of scientific workflow systems. We discuss RADICAL-Cybertools as one implementation of the building blocks concept, showing how they are designed and developed in accordance with this appr
Autor:
Charles A. Laughton, Conrado Pedebos, Iain Bethune, Ardita Shkurti, Vivek Balasubramanian, Shantenu Jha, Ioanna Danai Styliari
Publikováno v:
Journal of Chemical Theory and Computation. 15:2587-2596
CoCo ("complementary coordinates") is a method for ensemble enrichment based on principal component analysis (PCA) that was developed originally for the investigation of NMR data. Here we investigate the potential of the CoCo method, in combination w
Autor:
Shantenu Jha, Vivek Balasubramanian, Peter M. Kasson, Matteo Turilli, Michael R. Shirts, Travis Jensen
Publikováno v:
SN Computer Science. 1
Recent advances in both theory and methods have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble-based simulations are used widely to compute a number of individual simulation tra
Publikováno v:
CCGrid
We suggest there is a need for a fresh perspective on the design and development of middleware for high-performance workflows and workflow systems. We argue for a building blocks approach, outline a description of this approach and define their prope
Autor:
Vivek Balasubramanian, Shantenu Jha, Shunzhou Wan, David W. Wright, Matteo Turilli, Peter V. Coveney, Jumana Dakka, Kristof Farkas-Pall, Stefan J. Zasada
Publikováno v:
CCGrid
The efficacy of drug treatments depends on how tightly small molecules bind to their target proteins. Quantifying the strength of these interactions (the so called 'binding affinity') is a grand challenge of computational chemistry, surmounting which
Autor:
W. Lei, Vivek Balasubramanian, Guido Cervone, Matteo Turilli, Weiming Hu, Jeroen Tromp, Shantenu Jha, Ryan Modrak, Matthieu Lefebvre
Publikováno v:
IPDPS
Many scientific problems require multiple distinct computational tasks to be executed in order to achieve a desired solution. We introduce the Ensemble Toolkit (EnTK) to address the challenges of scale, diversity and reliability they pose. We describ
Autor:
Ran Brikman, Nir Shoshani, Shmoolik Mangan, Lior Shoval, Ishai Schwarzband, Vivek Balasubramanian, Sergey Khristo, Shay Goldstein
Publikováno v:
SPIE Proceedings.
Ever since the 180nm technology node the semiconductor industry has been battling the sub-wavelength regime in optical lithography. During the same time development for a 13.5nm Extreme Ultraviolet [EUV] solution has been in development, which would