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The use of time-averaged :::3:::J::HH:: restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications

Pieter M. S. Hendrickx, Francisco Corzana, Stefaan Depraetere, Dirk A. Tourwé, Koen Augustyns, José C. Martins. The use of time-averaged :::3:::J::HH:: restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: Methodology and applications. Journal of Computational Chemistry, 31(3):561-572, 2010. [doi]

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