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Andre Merzky

Showing results (1-10 of 6) with videos related to

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Data in Brief|February 10, 2022
A new hourly dataset for photovoltaic energy production for the continental USAWeiming Hu, Guido Cervone, Andre Merzky, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 20, 2009
Adaptive distributed replica-exchange simulationsAndre Luckow, Shantenu Jha, Joohyun Kim, et al.
Scientific Reports|February 6, 2023
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detectionAustin Clyde, Xuefeng Liu, Thomas Brettin, et al.
Proceedings ... IEEE International Conference on Escience. IEEE International Conference on Escience|April 14, 2025
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing JobsMihael Hategan-Marandiuc, Andre Merzky, Nicholson Collier, et al.
Interface Focus|December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computersAgastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
Journal of Chemical Information and Modeling|November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent InhibitorAustin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Data in Brief|February 10, 2022
A new hourly dataset for photovoltaic energy production for the continental USAWeiming Hu, Guido Cervone, Andre Merzky, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 20, 2009
Adaptive distributed replica-exchange simulationsAndre Luckow, Shantenu Jha, Joohyun Kim, et al.
Scientific Reports|February 6, 2023
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detectionAustin Clyde, Xuefeng Liu, Thomas Brettin, et al.
Proceedings ... IEEE International Conference on Escience. IEEE International Conference on Escience|April 14, 2025
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing JobsMihael Hategan-Marandiuc, Andre Merzky, Nicholson Collier, et al.
Interface Focus|December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computersAgastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
Journal of Chemical Information and Modeling|November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent InhibitorAustin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
Pageof 1