Martini Coarse-Grained Force Field: Extension to RNA.
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical journal"
DOI: 10.1016/j.bpj.2017.05.043
Abstract: RNA has an important role not only as the messenger of genetic information but also as a regulator of gene expression. Given its central role in cell biology, there is significant interest in studying the… read more here.
Keywords: force field; rna; coarse grained; martini coarse ... See more keywords
A Martini Coarse Grained Model of Citrate-Capped Gold Nanoparticles Interacting with Lipid Bilayers
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c00627
Abstract: Citrate capping is one of the most common strategies to achieve the colloidal stability of Au nanoparticles (NPs) with diameters ranging from a few to hundreds of nanometers. Citrate-capped Au nanoparticles (CNPs) represent a step… read more here.
Keywords: citrate; model; martini coarse; coarse grained ... See more keywords
Martini 3 Coarse-Grained Force Field for Carbohydrates
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00757
Abstract: The Martini 3 force field is a full reparametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance, it allows for a more accurate description of condensed phase systems. In… read more here.
Keywords: grained force; force field; field; coarse grained ... See more keywords
Martini 3 Coarse-Grained Model for Second-Generation Unidirectional Molecular Motors and Switches
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00796
Abstract: Artificial molecular motors (MMs) and switches (MSs), capable of undergoing unidirectional rotation or switching under the appropriate stimuli, are being utilized in multiple complex and chemically diverse environments. Although thorough theoretical work utilizing QM and… read more here.
Keywords: model second; grained model; molecular motors; coarse grained ... See more keywords
A Martini 3 coarse-grain model for the simulation of the photopolymerizable organic phase in dental composites
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra00732k
Abstract: Light-hardening dental composites can be used in a large number of applications in restorative dentistry. They are based on photopolymerizable resins, which are highly relevant also in other industries like 3D printing. Much effort is… read more here.
Keywords: dental composites; coarse grain; model; grain model ... See more keywords