An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands

Saleh, N; Ibrahim, P; Saladino, G; Gervasio, FL; Clark, T; (2017) An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands. Journal of Chemical Information and Modeling , 57 (5) pp. 1210-1217. 10.1021/acs.jcim.6b00772 .

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