11 citations · 12 across the 3 of their papers we have counts for
3 papers
Prompt Engineering for Transformer-based Chemical Similarity Search Identifies Structurally Distinct Functional Analogues
Clayton W. Kosonocky, Aaron L. Feller, Claus O. Wilke +1
Chemical similarity searches are widely used in-silico methods for identifying new drug-like molecules. These methods have historically relied on structure-based comparisons to com…
COVID-19 Multidimensional Kaggle Literature Organization
Maksim E. Eren, Nick Solovyev, Chris Hamer +3
The unprecedented outbreak of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2), or COVID-19, continues to be a significant worldwide problem. As a result, a surge of ne…
Analyzing Machupo virus-receptor binding by molecular dynamics simulations
Austin G. Meyer, Sara L. Sawyer, Andrew D. Ellington +1
In many biological applications, we would like to be able to computationally predict mutational effects on affinity in protein-protein interactions. However, many commonly used met…