Zobrazeno 1 - 10
of 207
pro vyhledávání: '"Shantenu, Jha"'
Autor:
Matteo Turilli, Mihael Hategan-Marandiuc, Mikhail Titov, Ketan Maheshwari, Aymen Alsaadi, Andre Merzky, Ramon Arambula, Mikhail Zakharchanka, Matt Cowan, Justin M. Wozniak, Andreas Wilke, Ozgur Ozan Kilic, Kyle Chard, Rafael Ferreira da Silva, Shantenu Jha, Daniel Laney
Publikováno v:
Frontiers in High Performance Computing, Vol 2 (2024)
Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be
Externí odkaz:
https://doaj.org/article/42a903246802413aa6ba2b3d43d7edca
Autor:
Sukanya Panja, Mihai Ioan Truica, Christina Y. Yu, Vamshi Saggurthi, Michael W. Craige, Katie Whitehead, Mayra V. Tuiche, Aymen Al-Saadi, Riddhi Vyas, Shridar Ganesan, Suril Gohel, Frederick Coffman, James S. Parrott, Songhua Quan, Shantenu Jha, Isaac Kim, Edward Schaeffer, Vishal Kothari, Sarki A. Abdulkadir, Antonina Mitrofanova
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-24 (2024)
Abstract Heterogeneous response to Enzalutamide, a second-generation androgen receptor signaling inhibitor, is a central problem in castration-resistant prostate cancer (CRPC) management. Genome-wide systems investigation of mechanisms that govern En
Externí odkaz:
https://doaj.org/article/f6960f68361b40e18d04bcb6422ccba2
Autor:
Xihaier Luo, Seyednami Niyakan, Patrick Johnstone, Sean McCorkle, Gilchan Park, Vanessa López-Marrero, Shinjae Yoo, Edward R. Dougherty, Xiaoning Qian, Francis J. Alexander, Shantenu Jha, Byung-Jun Yoon
Publikováno v:
Frontiers in Bioinformatics, Vol 4 (2024)
Radiation exposure poses a significant threat to human health. Emerging research indicates that even low-dose radiation once believed to be safe, may have harmful effects. This perception has spurred a growing interest in investigating the potential
Externí odkaz:
https://doaj.org/article/ebfb8cc60844488aae40eb2f9de38137
Autor:
E. A. Huerta, Ben Blaiszik, L. Catherine Brinson, Kristofer E. Bouchard, Daniel Diaz, Caterina Doglioni, Javier M. Duarte, Murali Emani, Ian Foster, Geoffrey Fox, Philip Harris, Lukas Heinrich, Shantenu Jha, Daniel S. Katz, Volodymyr Kindratenko, Christine R. Kirkpatrick, Kati Lassila-Perini, Ravi K. Madduri, Mark S. Neubauer, Fotis E. Psomopoulos, Avik Roy, Oliver Rübel, Zhizhen Zhao, Ruike Zhu
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-10 (2023)
A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The principles w
Externí odkaz:
https://doaj.org/article/e815e307fdb8458fa4bef94640bad47f
Autor:
Hyun-Myung Woo, Xiaoning Qian, Li Tan, Shantenu Jha, Francis J. Alexander, Edward R. Dougherty, Byung-Jun Yoon
Publikováno v:
Patterns, Vol 4, Iss 11, Pp 100875- (2023)
Summary: The need for efficient computational screening of molecular candidates that possess desired properties frequently arises in various scientific and engineering problems, including drug discovery and materials design. However, the enormous sea
Externí odkaz:
https://doaj.org/article/07de82a91b4a4c51b869ab820d10dbd6
Autor:
Austin Clyde, Xuefeng Liu, Thomas Brettin, Hyunseung Yoo, Alexander Partin, Yadu Babuji, Ben Blaiszik, Jamaludin Mohd-Yusof, Andre Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-14 (2023)
Abstract Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental testing and is widely used in drug
Externí odkaz:
https://doaj.org/article/9350cd1448aa41b5828f39539f4ae94c
Publikováno v:
Data in Brief, Vol 40, Iss , Pp 107824- (2022)
This new dataset is an ensemble of solar photovoltaic energy production simulations over the continental US. The simulations are carried out in three steps. First, a weather forecast system is used for the predictions of incoming insolation; then, fo
Externí odkaz:
https://doaj.org/article/adf498ef702f43bc93892eb8bbf327af
Autor:
Srinivas C Mushnoori, Ethan Zang, Akash Banerjee, Mason Hooten, Andre Merzky, Matteo Turilli, Shantenu Jha, Meenakshi Dutt
Publikováno v:
JPhys Materials, Vol 7, Iss 1, p 015006 (2023)
The formation of biomolecular materials via dynamical interfacial processes, such as self-assembly and fusion, for diverse compositions and external conditions can be efficiently probed using ensemble Molecular Dynamics (MD). However, this approach r
Externí odkaz:
https://doaj.org/article/7faef804c18346ddafaa21d1c47e5814
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
Autor:
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, Sofia Oliveira, Clare Morris, Anthony Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders Christensen, Daniel G. A. Smith, Zhuoran Qiao, Sai Krishna Sirumalla, Michael O’Connor, Frederick Manby, Anima Anandkumar, David Hardy, James Phillips, Abraham Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John McCalpin, Christopher Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John Stone, Daniel Zuckerman, Adrian Mulholland, Thomas Miller, Shantenu Jha, Arvind Ramanathan, Lillian Chong, Rommie Amaro
Publikováno v:
bioRxiv
article-version (status) pre
article-version (number) 1
article-version (status) pre
article-version (number) 1
We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically extends the capabilities of mult
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::516036b40ec5c48d0930b3c1e5f31e70
https://doi.org/10.1177/10943420221128233
https://doi.org/10.1177/10943420221128233