Showing results (11-20 of 102) with videos related to
Sort By:
Pageof 11
Journal of Chemical Information and Modeling|June 26, 2020
Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional TheorySohvi Luukkonen, Luc Belloni, Daniel Borgis, et al.Journal of Chemical Theory and Computation|January 17, 2024
Machine Learning of a Density Functional for Anisotropic Patchy ParticlesAlessandro Simon, Jens Weimar, Georg Martius, et al.The Journal of Chemical Physics|November 4, 2017
Exact molecular direct, cavity, and bridge functions in water systemLuc BelloniThe Journal of Chemical Physics|July 15, 2019
Non-equilibrium hybrid insertion/extraction through the 4th dimension in grand-canonical simulationLuc BelloniThe Journal of Chemical Physics|September 10, 2018
Finite-size corrections in numerical simulation of liquid waterLuc BelloniThe Journal of Chemical Physics|December 15, 2005
Yes, pair correlations alone do determine sedimentation profiles of highly charged colloidsLuc BelloniThe Journal of Physical Chemistry. B|July 21, 2006
Density functional theory of solvation and its relation to implicit solvent modelsRosa Ramirez, Daniel BorgisThe Journal of Chemical Physics|April 24, 2012
Bridge function for the dipolar fluid from simulationJoël Puibasset, Luc BelloniThe Journal of Chemical Physics|December 17, 2017
Finite-size corrections in simulation of dipolar fluidsLuc Belloni, Joël PuibassetThe Journal of Physical Chemistry. B|January 25, 2012
Molecular density functional theory: application to solvation and electron-transfer thermodynamics in polar solventsDaniel Borgis, Lionel Gendre, Rosa RamirezPageof 11