163 citations · 228 across the 2 of their papers we have counts for
2 papers
q-bio.BM2024★ 65 cited
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
physics.chem-ph2005★ 163 cited
Coupling hydrophobic, dispersion, and electrostatic contributions in continuum solvent models
J. Dzubiella, J. M. J. Swanson, J. A. McCammon
Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact no…