SAMPL7: Host–guest binding prediction by molecular dynamics and quantum mechanics
Computational Chemistry Daily,
link.springer.com - Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges provide routes to compare…
Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption…
Overview of attention for article published in The Journal of Physical Chemistry - Part C, January 2015
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