Analysis of Conserved Hydrophobic Cores in Proteins and Supramolecular Complexes. - Anna S. Karyagina; Anna S. Ershova; Mikhail Titov; Ivan Olovnikov; Evgeniy Aksianov; Alexandra Ryazanova; Elena Kubareva; Sergei A. Spirin; Andrei Alexeevski (J. Bioinform. Comput. Biol., 2006)

NPIDB: a Database of Nucleic Acids-Protein Interactions. - Sergei A. Spirin; Mikhail Titov; Anna S. Karyagina; Andrei Alexeevski (Bioinform., 2007)

Poster: PanDA: Next Generation Workload Management and Analysis System for Big Data. - Kaushik De; Alexei Klimentov; Sergey Panitkin; Mikhail Titov; A. Vaniachine; Torre J. Wenaus; D. Yu; Gergely V. Záruba (SC Companion, 2012)

Abstract: PanDA: Next Generation Workload Management and Analysis System for Big Data. - Alexei Klimentov; A. Vaniachine; Kaushik De; Torre J. Wenaus; Sergey Panitkin; Dantong Yu; Gergely V. Záruba; Mikhail Titov (SC Companion, 2012)

Modeling Impact of Execution Strategies on Resource Utilization. - Alexey A. Poyda; Mikhail Titov; Alexei Klimentov; Jack C. Wells; Sarp H. Oral; Kaushik De; Danila Oleynik; Shantenu Jha (eScience, 2018)

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. - 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; et al. (CoRR, 2020)

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. - 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; et al. (ICPP, 2021)

Scalable HPC & AI infrastructure for COVID-19 therapeutics. - 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; et al. (PASC, 2021)

ExaWorks: Workflows for Exascale. - Aymen Al-Saadi; Dong H. Ahn; Yadu N. Babuji; Kyle Chard; James Corbett; Mihael Hategan; Stephen Herbein; Shantenu Jha; Daniel E. Laney; André Merzky; Todd S. Munson; Michael Salim; et al. (WORKS, 2021)

Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. - 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; et al. (CoRR, 2021)

ExaWorks: Workflows for Exascale. - Aymen Al-Saadi; Dong H. Ahn; Yadu N. Babuji; Kyle Chard; James Corbett; Mihael Hategan; Stephen Herbein; Shantenu Jha; Daniel E. Laney; André Merzky; Todd S. Munson; Michael Salim; et al. (CoRR, 2021)

The Ghost of Performance Reproducibility Past. - Srinivasan Ramesh; Mikhail Titov; Matteo Turilli; Shantenu Jha; Allen D. Malony (e-Science, 2022)

RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources. - Mikhail Titov; Matteo Turilli; André Merzky; Thomas J. Naughton; Wael R. Elwasif; Shantenu Jha (JSSPP, 2022)

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. - 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; et al. (J. Chem. Inf. Model., 2022)

Design and Performance Characterization of RADICAL-Pilot on Leadership-Class Platforms. - André Merzky; Matteo Turilli; Mikhail Titov; Aymen Al-Saadi; Shantenu Jha (IEEE Trans. Parallel Distributed Syst., 2022)

Building the I (Interoperability) of FAIR for Performance Reproducibility of Large-Scale Composable Workflows in RECUP. - Bogdan Nicolae; Tanzima Z. Islam; Robert B. Ross; Huub J. J. Van Dam; Kevin Assogba; Polina Shpilker; Mikhail Titov; Matteo Turilli; Tianle Wang 001; Ozgur O. Kilic; Shantenu Jha; Line C. Pouchard (e-Science, 2023)

Novel Approaches Toward Scalable Composable Workflows in Hyper-Heterogeneous Computing Environments. - Jonathan Bader; Jim Belak; Matthew T. Bement; Matthew Berry; Robert Carson; Daniela Cassol; Stephen Chan; John Coleman; Kastan Day; Alejandro Duque; Kjiersten Fagnan; Jeff Froula; et al. (SC Workshops, 2023)

Uncertainty Quantification of Metal Additive Manufacturing Processing Conditions Through the use of Exascale Computing. - Robert Carson; Matthew Rolchigo; John Coleman; Mikhail Titov; James F. Belak; Matt Bement (SC Workshops, 2023)

Workflow Mini-Apps: Portable, Scalable, Tunable & Faithful Representations of Scientific Workflows. - Ozgur O. Kilic; Tianle Wang 001; Matteo Turilli; Mikhail Titov; André Merzky; Line Pouchard; Shantenu Jha (CCGrid, 2024)

Enabling Performance Observability for Heterogeneous HPC Workflows with SOMA. - Dewi Yokelson; Mikhail Titov; Srinivasan Ramesh; Ozgur O. Kilic; Matteo Turilli; Shantenu Jha; Allen D. Malony (ICPP, 2024)

Radical-Cylon: A Heterogeneous Data Pipeline for Scientific Computing. - Arup Kumar Sarker; Aymen Alsaadi; Niranda Perera; Mills Staylor; Gregor von Laszewski; Matteo Turilli; Ozgur Ozan Kilic; Mikhail Titov; André Merzky; Shantenu Jha; Geoffrey C. Fox (JSSPP, 2024)

Design and Implementation of an Analysis Pipeline for Heterogeneous Data. - Arup Kumar Sarker; Aymen Alsaadi; Niranda Perera; Mills Staylor; Gregor von Laszewski; Matteo Turilli; Ozgur Ozan Kilic; Mikhail Titov; André Merzky; Shantenu Jha; Geoffrey C. Fox (CoRR, 2024)

Scaling on Frontier: Uncertainty Quantification Workflow Applications using ExaWorks to Enable Full System Utilization. - Mikhail Titov; Robert Carson; Matthew Rolchigo; John Coleman; James F. Belak; Matthew T. Bement; Daniel E. Laney; Matteo Turilli; Shantenu Jha (CoRR, 2024)

ExaWorks Software Development Kit: A Robust and Scalable Collection of Interoperable Workflow Technologies. - Matteo Turilli; Mihael Hategan-Marandiuc; Mikhail Titov; Ketan Maheshwari; Aymen Alsaadi; André Merzky; Ramon Arambula; Mikhail Zakharchanka; Matt Cowan; Justin M. Wozniak; Andreas Wilke; Ozgur Ozan Kilic; et al. (CoRR, 2024)

Exascale Workflow Applications and Middleware: An ExaWorks Retrospective. - Aymen Alsaadi; Mihael Hategan-Marandiuc; Ketan Maheshwari; André Merzky; Mikhail Titov; Matteo Turilli; Andreas Wilke; Justin M. Wozniak; Kyle Chard; Rafael Ferreira da Silva; Shantenu Jha; Daniel E. Laney (CoRR, 2024)

Adaptive Protein Design Protocols and Middleware. - Aymen Alsaadi; Jonathan Ash; Mikhail Titov; Matteo Turilli; André Merzky; Shantenu Jha; Sagar Khare (IPDPS (Workshops), 2025)

Scalable Runtime Architecture for Data-driven, Hybrid HPC and ML Workflow Applications. - André Merzky; Mikhail Titov; Matteo Turilli; Ozgur O. Kilic; Tianle Wang 001; Shantenu Jha (IPDPS (Workshops), 2025)

Deep RC: A Scalable Data Engineering and Deep Learning Pipeline. - Arup Kumar Sarker; Aymen Alsaadi; Alexander James Halpern; Prabhath Tangella; Mikhail Titov; Gregor von Laszewski; Shantenu Jha; Geoffrey C. Fox (CoRR, 2025)