Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Ben Blaiszik"'
Autor:
Kamal Choudhary, Daniel Wines, Kangming Li, Kevin F. Garrity, Vishu Gupta, Aldo H. Romero, Jaron T. Krogel, Kayahan Saritas, Addis Fuhr, Panchapakesan Ganesh, Paul R. C. Kent, Keqiang Yan, Yuchao Lin, Shuiwang Ji, Ben Blaiszik, Patrick Reiser, Pascal Friederich, Ankit Agrawal, Pratyush Tiwary, Eric Beyerle, Peter Minch, Trevor David Rhone, Ichiro Takeuchi, Robert B. Wexler, Arun Mannodi-Kanakkithodi, Elif Ertekin, Avanish Mishra, Nithin Mathew, Mitchell Wood, Andrew Dale Rohskopf, Jason Hattrick-Simpers, Shih-Han Wang, Luke E. K. Achenie, Hongliang Xin, Maureen Williams, Adam J. Biacchi, Francesca Tavazza
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-17 (2024)
Abstract Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many fields. Materials science, in particular, encompasses a variety of experimental and theoretical approaches that require careful be
Externí odkaz:
https://doaj.org/article/dd95e89a6ffb48b6b7fe3dd56910340f
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:
Alexander K. Landauer, Orion L. Kafka, Newell H. Moser, Ian Foster, Ben Blaiszik, Aaron M. Forster
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-15 (2023)
Abstract The availability of materials data for impact-mitigating materials has lagged behind applications-based data. For example, data describing on-field helmeted impacts are available, whereas material behaviors for the constituent impact-mitigat
Externí odkaz:
https://doaj.org/article/0b0170942291402d9d39a8daafc621ee
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
Autor:
Nikil Ravi, Pranshu Chaturvedi, E. A. Huerta, Zhengchun Liu, Ryan Chard, Aristana Scourtas, K. J. Schmidt, Kyle Chard, Ben Blaiszik, Ian Foster
Publikováno v:
Scientific Data, Vol 9, Iss 1, Pp 1-9 (2022)
Abstract A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovatio
Externí odkaz:
https://doaj.org/article/d4f06a97624a4ca6b9b33142632fd44c
Autor:
Tijana Rajh, Tamara Koritarov, Ben Blaiszik, Syeda Fatima Z. Rizvi, Vani Konda, Marc Bissonnette
Publikováno v:
Frontiers in Chemistry, Vol 10 (2022)
Bioinspired photocatalysis has resulted in efficient solutions for many areas of science and technology spanning from solar cells to medicine. Here we show a new bioinspired semiconductor nanocomposite (nanoTiO2-DOPA-luciferase, TiDoL) capable of con
Externí odkaz:
https://doaj.org/article/b7ed2f2ef0b74aa187f6aad3b6565d31
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that hav
Externí odkaz:
https://doaj.org/article/25dc6e150f3044b7a3c02a54d6b2bba8
Autor:
Zhuozhao Li, Ryan Chard, Yadu Babuji, Ben Galewsky, Tyler J. Skluzacek, Kirill Nagaitsev, Anna Woodard, Ben Blaiszik, Josh Bryan, Daniel S. Katz, Ian Foster, Kyle Chard
Publikováno v:
IEEE Transactions on Parallel and Distributed Systems. 33:4948-4963
funcX is a distributed function as a service (FaaS) platform that enables flexible, scalable, and high performance remote function execution. Unlike centralized FaaS systems, funcX decouples the cloud-hosted management functionality from the edge-hos
Autor:
Jingrui Wei, Carter Francis, Dane Morgan, KJ Schmidt, Aristana Scourtas, Ian Foster, Ben Blaiszik, Paul M Voyles
Publikováno v:
Microscopy and Microanalysis. 28:3094-3096
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Autor:
Andre Merzky, Ryan Chard, Jurgen G. Schmidt, Zhuozhao Li, Srinivas C. Chennubhotla, Heng Ma, Li Tan, Mikhail Titov, Vlimos Kertesz, Austin Clyde, Daniel W. Kneller, Hyungro Lee, Alexander Brace, Rick Stevens, Darin Hauner, Leighton Coates, Shantenu Jha, Kyle Chard, Andrey Kovalevsky, Arvind Ramanathan, Thomas Brettin, Neeraj Kumar, Ben Blaiszik, Stephanie Galanie, Hubertus J. J. van Dam, Matteo Turilli, Martha S Head, Yadu Babuji, Ian Foster, Anda Trifan
Publikováno v:
Journal of Chemical Information and Modeling
Despite the recent availability of vaccines against the acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the search for inhibitory therapeutic agents has assumed importance especially in the context of emerging new viral variants. In this paper