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Chemical Reviews|April 13, 2019
Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular SimulationMelanie P Muller, Tao Jiang, Chang Sun, et al.
Current Research in Structural Biology|July 8, 2021
Calmodulin complexes with brain and muscle creatine kinase peptidesJanina Sprenger, Anda Trifan, Neal Patel, 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.
Biorxiv : the Preprint Server for Biology|November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike DynamicsLorenzo Casalino, Abigail Dommer, Zied Gaieb, 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.
The International Journal of High Performance Computing Applications|April 11, 2024
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamicsLorenzo Casalino, Abigail C Dommer, Zied Gaieb, et al.
The International Journal of High Performance Computing Applications|March 11, 2024
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in actionAnda Trifan, Defne Gorgun, Michael Salim, et al.
Biorxiv : the Preprint Server for Biology|November 24, 2021
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory AerosolAbigail Dommer, Lorenzo Casalino, Fiona Kearns, et al.
The International Journal of High Performance Computing Applications|January 17, 2023
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosolAbigail Dommer, Lorenzo Casalino, Fiona Kearns, et al.
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