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Files for Molecular Dynamics Simulation of COSAN - MaRDI portal

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Files for Molecular Dynamics Simulation of COSAN

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DOI10.5281/zenodo.3696800Zenodo3696800MaRDI QIDQ6697553

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 4 March 2020

Copyright license: No records found.



Description

Topology file (.top), force field parameters file (.prm) and coordinate file (.pdb) for Molecular Dynamics Simulations of COSAN molecule compatible with CHARMM force field. Files based on the parameters reported in: D.C. Malaspina, C. Vias, F. Teixidor, J. FaraudoAtomistic Simulations of COSAN: Amphiphiles without a Head-and-Tail Design Display Head and Tail Surfactant Behavior, Angewandte Chemie International Edition Vol 59(8),Pages3088-3092 (2020) DOI:10.1002/anie.201913257






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