Publications by authors named "Matteo Turilli"

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PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs.
Mihael Hategan-Marandiuc, Andre Merzky, Nicholson Collier, Ketan Maheshwari, Jonathan Ozik, Matteo Turilli

Proc IEEE Int Conf Escience· October 2023

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Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting.
Daipayan Sarkar, Hyungro Lee, John W Vant, Matteo Turilli, Josh V Vermaas

J Chem Inf Model· September 2023

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AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection.
Austin Clyde, Xuefeng Liu, Thomas Brettin, Hyunseung Yoo, Alexander Partin, Matteo Turilli

Sci Rep· February 2023

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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Matteo Turilli

Int J High Perform Comput Appl· January 2023

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A new hourly dataset for photovoltaic energy production for the continental USA.
Weiming Hu, Guido Cervone, Andre Merzky, Matteo Turilli, Shantenu Jha

Data Brief· February 2022

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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 Babuji, Matteo Turilli

J Chem Inf Model· January 2022

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Pandemic drugs at pandemic speed: infrastructure for 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, Matteo Turilli

Interface Focus· December 2021

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#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Matteo Turilli

bioRxiv· November 2021

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AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Matteo Turilli

Int J High Perform Comput Appl· September 2021

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Large-Scale Molecular Dynamics Simulations of Cellular Compartments.
Eric Wilson, John Vant, Jacob Layton, Ryan Boyd, Hyungro Lee, Matteo Turilli

Methods Mol Biol· August 2021

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AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Matteo Turilli

bioRxiv· November 2020

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High-throughput binding affinity calculations at extreme scales.
Jumana Dakka, Matteo Turilli, David W Wright, Stefan J Zasada, Vivek Balasubramanian

BMC Bioinformatics· December 2018

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Flexible services for the support of research.
Matteo Turilli, David Wallom, Chris Williams, Steve Gough, Neal Curran

Philos Trans A Math Phys Eng Sci· January 2013

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