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2020 – today
- 2022
[j4]Austin Clyde, Stephanie Galanie, Daniel W. Kneller
, Heng Ma, Yadu N. Babuji, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian T. Foster, Darin Hauner, Vilmos Kertesz, Neeraj Kumar, Hyungro Lee, Zhuozhao Li, André Merzky, Jurgen G. Schmidt, Li Tan, Mikhail Titov, Anda Trifan, Matteo Turilli, Hubertus Van Dam, Srinivas C. Chennubhotla, Shantenu Jha, Andrey Kovalevsky, Arvind Ramanathan, Martha S. Head, Rick Stevens:
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J. Chem. Inf. Model. 62(1): 116-128 (2022)- [j3]André Merzky, Matteo Turilli, Mikhail Titov, Aymen Al-Saadi, Shantenu Jha:
Design and Performance Characterization of RADICAL-Pilot on Leadership-Class Platforms. IEEE Trans. Parallel Distributed Syst. 33(4): 818-829 (2022) - [c8]Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony:
The Ghost of Performance Reproducibility Past. e-Science 2022: 513-518 - [c7]Mikhail Titov, Matteo Turilli, André Merzky, Thomas J. Naughton, Wael R. Elwasif, Shantenu Jha:
RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources. JSSPP 2022: 88-107 - [i6]Srinivasan Ramesh, Mikhail Titov, Matteo Turilli, Shantenu Jha, Allen D. Malony:
The Ghost of Performance Reproducibility Past. CoRR abs/2208.13102 (2022) - 2021
- [c6]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Dieter Kranzlmüller, Thorsten Kurth, Hyungro Lee, Zhuozhao Li, Heng Ma, Gerald Mathias, André Merzky, Alexander Partin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Anda Trifan, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling, Junqi Yin:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 2021: 40:1-40:12 - [c5]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 2021: 2:1-2:13 - [c4]Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Thomas D. Uram, Justin M. Wozniak:
ExaWorks: Workflows for Exascale. WORKS 2021: 50-57 - [i5]André Merzky, Matteo Turilli, Mikhail Titov, Aymen Al-Saadi, Shantenu Jha:
Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms. CoRR abs/2103.00091 (2021) - [i4]Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney:
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR abs/2103.02843 (2021) - [i3]Aymen Al-Saadi, Dong H. Ahn, Yadu N. Babuji, Kyle Chard, James Corbett, Mihael Hategan, Stephen Herbein, Shantenu Jha, Daniel Laney, André Merzky, Todd S. Munson, Michael Salim, Mikhail Titov, Matteo Turilli, Justin M. Wozniak:
ExaWorks: Workflows for Exascale. CoRR abs/2108.13521 (2021) - 2020
- [i2]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Thorsten Kurth, Dieter Kranzlmüller, Hyungro Lee, Zhuozhao Li, Heng Ma, André Merzky, Gerald Mathias, Alexander Partin, Junqi Yin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR abs/2010.06574 (2020) - [i1]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR abs/2010.10517 (2020)
2010 – 2019
- 2018
- [c3]Alexey A. Poyda, Mikhail Titov, Alexei Klimentov, Jack C. Wells, Sarp H. Oral, Kaushik De, Danila Oleynik, Shantenu Jha:
Modeling Impact of Execution Strategies on Resource Utilization. eScience 2018: 340 - 2012
- [c2]Alexei Klimentov, A. Vaniachine, Kaushik De, Torre J. Wenaus, Sergey Panitkin, Dantong Yu, Gergely V. Záruba, Mikhail Titov:
Abstract: PanDA: Next Generation Workload Management and Analysis System for Big Data. SC Companion 2012: 1521-1522 - [c1]Kaushik De, Alexei Klimentov, Sergey Panitkin, Mikhail Titov, A. Vaniachine, Torre J. Wenaus, D. Yu, Gergely V. Záruba:
Poster: PanDA: Next Generation Workload Management and Analysis System for Big Data. SC Companion 2012: 1523
2000 – 2009
- 2007
- [j2]Sergei A. Spirin, Mikhail Titov, Anna S. Karyagina, Andrei Alexeevski:
NPIDB: a Database of Nucleic Acids-Protein Interactions. Bioinform. 23(23): 3247-3248 (2007) - 2006
- [j1]Anna S. Karyagina, Anna S. Ershova, Mikhail Titov, Ivan Olovnikov, Evgeniy Aksianov, Alexandra Ryazanova, Elena Kubareva, Sergei A. Spirin, Andrei Alexeevski:
Analysis of Conserved Hydrophobic Cores in Proteins and Supramolecular Complexes. J. Bioinform. Comput. Biol. 4(2): 357-372 (2006)
Coauthor Index
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