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"Computing Relative Binding Affinity of Ligands to Receptor: An Effective ..."
Wei Jiang, Christophe Chipot, Benoît Roux (2019)
- Wei Jiang
, Christophe Chipot
, Benoît Roux
:
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD. J. Chem. Inf. Model. 59(9): 3794-3802 (2019)
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