Department Publications

2021

9. Learning Small Molecule Energies and Interatomic Forces with an Equivariant Transformer on the ANI-1x Dataset

   Bryce Hedelius^‡, Fabian B. Fuchs, and Dennis Della Corte

   ELLIS Machine Learning for Molecule Discovery Workshop (2021).
   
10. Evaluation of Deep Neural Network ProSPr for Accurate Protein Distance Predictions on CASP14 Targets

    Jacob Stern^†, Bryce Hedelius^‡, Olivia Fisher^‡, Wendy M. Billings^‡, and Dennis Della Corte

    Int. J. Mol. Sci. 22, 12835 (2021).
    
11. Delivering Digital Transformation with Self-reporting Data Assets

    Dennis Della Corte, Naomi Young^‡, and Karen A. Della Corte

    Proceedings of the Future Technologies Conference (FTC) 2021, Volume 1. FTC 2021. Lecture Notes in Networks and Systems, vol 358. Springer, Cham.
    
12. Modeling SARS-CoV2 proteins in the CASP-commons experiment

    Andriy Kryshtafovych, John Moult, Wendy M. Billings^‡, Dennis Della Corte, Krzysztof Fidelis, Sohee Kwon, … (4 other authors)

    Proteins: Struct., Funct., Bioinf., (2021).
    
13. The Data-Centric Lab: A Pharmaceutical Perspective

    Dennis Della Corte and Karen A. Della Corte

    Proceedings of the 2021 Future of Information and Communication Conference (FICC), pp 1-15, (2021).
    
14. The whole is greater than its parts: ensembling improves protein contact prediction

    Wendy M. Billings^‡, Connor J. Morris^‡, and Dennis Della Corte

    Sci. Rep. 11 (1), 8039 (2021).
    
15. Coming of age of allotrope: proceedings from the Fall 2020 Allotrope Connect

    Todd Millecam^‡, Austin J. Jarrett^‡, Naomi Young^‡, Dana E. Vanderwall, and Dennis Della Corte

    Drug Discov. Today 26 (8), 1922-1928 (2021).
    
16. Using molecular docking and molecular dynamics to investigate protein-ligand interactions

    Connor J. Morris^‡ and Dennis Della Corte

    Mod. Phys. Lett. B 35 (8), 2130002 (2021).
    
17. Current computational methods for enzyme design

    Talmage L. Coates^‡, Naomi Young^‡, Austin J. Jarrett^‡, Connor J. Morris^‡, James D. Moody, and Dennis Della Corte

    Mod. Phys. Lett. B 35 (9), 2150155 (2021).
    

^‡Undergraduate Student Author

^†Graduate Student Author