Publications

Preprints

  • Herasymenko O, Silva M, Abu-Saleh AA, et al., CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13. chemrxiv.
  • Moore JH, Cole DJ, Csányi G, Computing Hydration Free Energies of Small Molecules with First Principles Accuracy. arxiv.
  • Pirie R, Hall SJ, Cole DJ, Murphy T, Riemannian Geometry and Molecular Similarity II: Kähler Quantization. arxiv.
  • Kovács DP, Moore JH, Browning NJ, Batatia I, Horton JT, Kapil V, Witt WC, Magdau I-B, Cole DJ, Csányi G, MACE-OFF23: Transferable Machine Learning Force Fields for Organic Molecules. arxiv.

Published