50 citations · 161 across the 8 of their papers we have counts for
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physics.chem-ph2018
High-throughput free energies and water maps for drug discovery by molecular density functional theory
Sohvi Luukkonen, Luc Belloni, Daniel Borgis +1
The hydration or binding free energy of a drug-like molecule is a key data for early stage drug discovery. Hundreds of thousands of evaluations are needed, which rules out the exha…
physics.chem-ph2018★ 31 cited
Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes
Luc Belloni, Daniel Borgis, Maximilien Levesque
The ion-induced long-range orientational order between water molecules recently observed in second harmonic scattering experiments and illustrated with large scale molecular dynami…