Pickett angles and Cremer-Pople coordinates as collective variables for the enhanced sampling of six-membered ring conformations

Author: Sega M.   Autieri E.   Pederiva F.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.109, Iss.1, 2011-01, pp. : 141-148

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Abstract