Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

A review of advancements in coarse-grained molecular dynamics simulations

SY Joshi, SA Deshmukh - Molecular Simulation, 2021 - Taylor & Francis
Over the last few years, coarse-grained molecular dynamics has emerged as a way to model
large and complex systems in an efficient and inexpensive manner due to its lowered …

Modeling and simulations of polymers: a roadmap

TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013 - pubs.rsc.org
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

Improved parameters for the martini coarse-grained protein force field

DH De Jong, G Singh, WFD Bennett… - Journal of chemical …, 2013 - ACS Publications
The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …

Martini 3 coarse‐grained force field: small molecules

R Alessandri, J Barnoud, AS Gertsen… - Advanced Theory …, 2022 - Wiley Online Library
The recent re‐parametrization of the Martini coarse‐grained force field, Martini 3, improved
the accuracy of the model in predicting molecular packing and interactions in molecular …

Pitfalls of the Martini model

R Alessandri, PCT Souza, S Thallmair… - Journal of chemical …, 2019 - ACS Publications
The computational and conceptual simplifications realized by coarse-grain (CG) models
make them a ubiquitous tool in the current computational modeling landscape. Building …

Martini coarse-grained force field: extension to DNA

JJ Uusitalo, HI Ingólfsson, P Akhshi… - Journal of chemical …, 2015 - ACS Publications
We systematically parameterized a coarse-grained (CG) model for DNA that is compatible
with the Martini force field. The model maps each nucleotide into six to seven CG beads and …

Polystyrene nanoparticles perturb lipid membranes

G Rossi, J Barnoud, L Monticelli - The journal of physical …, 2014 - ACS Publications
Polystyrene is abundant in marine debris. Like most synthetic polymers, it degrades very
slowly, producing smaller and smaller particles easily ingested by wildlife. The presence of …

Toward understanding lipid reorganization in RNA lipid nanoparticles in acidic environments

A Garaizar, D Díaz-Oviedo, N Zablowsky… - Proceedings of the …, 2024 - pnas.org
The use of lipid nanoparticles (LNPs) for therapeutic RNA delivery has gained significant
interest, particularly highlighted by recent milestones such as the approval of Onpattro and …