85 research outputs found
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies
Live Cell Plasma Membranes Do Not Exhibit a Miscibility Phase Transition over a Wide Range of Temperatures
Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method
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