Exscalate contributes to publications and journals
Based on the research we undertake at Exscalate, we have co-authored a number of articles published in a range of scientific and computer science journals and publications. These cover topics from high performance computing and virtual screening through to small molecules and drug discovery.
ProfhEX: AI-based platform for small molecules liability profiling
MEDIATE - Molecular Docking at home: Turning collaborative simulations into therapeutic solutions
Relevance of Spike/Estrogen Receptor-α interaction for endothelial-based coagulopathy induced by SARS-CoV-2
Structure of human TRPM8 channel
Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations
Structural Evolution of Delta (B.1.617.2) and Omicron (BA.1) Spike Glycoproteins
Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort
Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel
EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2
Paclitaxel binds and activates C5aR1: A new potential therapeutic target for the prevention of chemotherapy-induced peripheral neuropathy and hypersensitivity reactions
We have formed many successful partnerships. Together we are accelerating drug discovery.