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 …

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 …

The martini model in materials science

R Alessandri, F Grünewald, SJ Marrink - Advanced Materials, 2021 - Wiley Online Library
The Martini model, a coarse‐grained force field initially developed with biomolecular
simulations in mind, has found an increasing number of applications in the field of soft …

Bulk heterojunction morphologies with atomistic resolution from coarse-grain solvent evaporation simulations

R Alessandri, JJ Uusitalo, AH De Vries… - Journal of the …, 2017 - ACS Publications
Control over the morphology of the active layer of bulk heterojunction (BHJ) organic solar
cells is paramount to achieve high-efficiency devices. However, no method currently …

Facilitating CG simulations with MAD: The MArtini database server

C Hilpert, L Beranger, PCT Souza… - Journal of chemical …, 2023 - ACS Publications
The MArtini Database (MAD-https://mad. ibcp. fr) is a web server designed for the sharing of
structures and topologies of molecules parametrized with the Martini coarse-grained (CG) …

Cellular entry of graphene nanosheets: the role of thickness, oxidation and surface adsorption

J Wang, Y Wei, X Shi, H Gao - Rsc Advances, 2013 - pubs.rsc.org
Coarse grained molecular dynamics simulations are conducted to study the interaction of
graphene nanosheets with a lipid bilayer, focusing on the effects of graphene thicknesses …

[HTML][HTML] Force field development for lipid membrane simulations

AP Lyubartsev, AL Rabinovich - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
With the rapid development of computer power and wide availability of modelling software
computer simulations of realistic models of lipid membranes, including their interactions with …

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle …

C Empereur-Mot, L Pesce, G Doni, D Bochicchio… - ACS …, 2020 - ACS Publications
We present Swarm-CG, a versatile software for the automatic iterative parametrization of
bonded parameters in coarse-grained (CG) models, ideal in combination with popular CG …