The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling

Por Muddana, Hari S., Sapra, Neil V., Fenley, Andrew T., Gilson, Michael K.
Publicado em 2013

The SAMPL4 hydration challenge: Evaluation of partial charge sets with explicit-water molecular dynamics simulations

Por Muddana, Hari S., Sapra, Neil V., Fenley, Andrew T., Gilson, Michael K.
Publicado em 2014

Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method

Por Muddana, Hari S., Yin, Jian, Sapra, Neil V., Fenley, Andrew T., Gilson, Michael K.
Publicado em 2014