Modeling DMPC lipid membranes with SIRAH force-field
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DOI: 10.1007/s00894-017-3426-5
Abstract: Coarse-grained simulation schemes are increasingly gaining popularity in the scientific community because of the significant speed up granted, allowing a considerable expansion of the accessible time and size scales accessible to molecular simulations. However, the… read more here.
Keywords: lipid membranes; force field; dmpc lipid; sirah force ... See more keywords
Coarse-Grained Parameters for Divalent Cations within the SIRAH Force Field
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00160
Abstract: Although molecular dynamics simulations allow for the study of interactions among virtually all biomolecular entities, metal ions still pose significant challenges in achieving an accurate structural and dynamical description of many biological assemblies, particularly to… read more here.
Keywords: force field; grained parameters; force; coarse grained ... See more keywords