Zobrazeno 1 - 10
of 60
pro vyhledávání: '"Giacomo Fiorin"'
Autor:
Wenchang Zhou, Giacomo Fiorin, Claudio Anselmi, Hossein Ali Karimi-Varzaneh, Horacio Poblete, Lucy R Forrest, José D Faraldo-Gómez
Publikováno v:
eLife, Vol 8 (2019)
That channels and transporters can influence the membrane morphology is increasingly recognized. Less appreciated is that the extent and free-energy cost of these deformations likely varies among different functional states of a protein, and thus, th
Externí odkaz:
https://doaj.org/article/096e5ea06b6849bc94922f1e580317a3
Publikováno v:
PLoS Computational Biology, Vol 11, Iss 10, p e1004368 (2015)
The knowledge of multiple conformational states is a prerequisite to understand the function of membrane transport proteins. Unfortunately, the determination of detailed atomic structures for all these functionally important conformational states wit
Externí odkaz:
https://doaj.org/article/c061c6216e254f7fb7e8a2eab69e9d92
Publikováno v:
bioRxiv
All lipid membranes have inherent morphological preferences and resist deformation. Yet adaptations in membrane shape can and do occur at multiple length scales. While this plasticity is crucial for cellular physiology, the factors controlling the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95307312c340b64623a07060c1aa6cbd
https://doi.org/10.1101/2023.02.02.525347
https://doi.org/10.1101/2023.02.02.525347
Publikováno v:
Biophysical Journal. 122:363a
Autor:
Shuhei Kawamoto, Huihui Liu, Yusuke Miyazaki, Sangjae Seo, Mayank Dixit, Russell DeVane, Christopher MacDermaid, Giacomo Fiorin, Michael L. Klein, Wataru Shinoda
Publikováno v:
Journal of chemical theory and computation. 18(5)
A coarse-grained (CG) model for peptides and proteins was developed as an extension of the Surface Property fItting Coarse grAined (SPICA) force field (FF). The model was designed to examine membrane proteins that are fully compatible with the lipid
Autor:
Huihui Liu, Yusuke Miyazaki, Russell DeVane, Mayank Kumar Dixit, Shuhei Kawamoto, Sangjae Seo, Giacomo Fiorin, Wataru Shinoda, Micheal L Klein, Christopher M. MacDermaid
A coarse-grained (CG) model for peptides and proteins was developed as an extension of the SPICA (Surface Property fItting Coarse grAined) force field (FF). The model was designed to examine membrane proteins that are fully compatible with the lipid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::88c270d877974e2d7233953d77e7b7d4
https://doi.org/10.1101/2021.12.01.470839
https://doi.org/10.1101/2021.12.01.470839
In light of the recently published complete set of statistically correct Gronbech-Jensen (GJ) methods for discrete-time thermodynamics, we revise a differential operator splitting method for the Langevin equation in order to comply with the basic GJ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4d9ac72662adc4a29a374b3cbc7e44f
http://arxiv.org/abs/2108.03363
http://arxiv.org/abs/2108.03363
Publikováno v:
Molecular Physics. 119
The high anisotropy of polymer-based fibres confers them high tensile strength, but also makes them more vulnerable against non-uniform mechanical loads. This is even more important for Kevlar® fib...
Publikováno v:
J Comput Chem
We report a methodology to calculate the free energy of a shape transformation in a lipid membrane directly from a molecular dynamics simulation. The bilayer need not be homogeneous or symmetric and can be atomically detailed or coarse grained. The m
The Collective Variables Dashboard is a software tool for real-time, seamless exploration of molecular structures and trajectories in a customizable space of collective variables. The Dashboard arises from the integration of the Collective Variables
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d31b67ea398bde437e736e74e9097f6