Zobrazeno 1 - 10
of 741
pro vyhledávání: '"Coarse-grained models"'
Publikováno v:
Frontiers in Soft Matter, Vol 4 (2024)
The process of self-assembly of biomolecules underlies the formation of macromolecular assemblies, biomolecular materials and protein folding, and thereby is critical in many disciplines and related applications. This process typically spans numerous
Externí odkaz:
https://doaj.org/article/db9f14e41d0a4e6eaaf731fac01b9ac5
Autor:
Pierre Tufféry, Philippe Derreumaux
Publikováno v:
Frontiers in Bioinformatics, Vol 3 (2023)
Introduction: Peptides carry out diverse biological functions and the knowledge of the conformational ensemble of polypeptides in various experimental conditions is important for biological applications. All fast dedicated softwares perform well in a
Externí odkaz:
https://doaj.org/article/353a32142a63445780e3d3ffdd7a9b38
Publikováno v:
Viruses, Vol 15, Iss 8, p 1672 (2023)
Most coarse-grained models of individual capsomers associated with viruses employ rigid building blocks that do not exhibit shape adaptation during self-assembly. We develop a coarse-grained general model of viral capsomers that incorporates their st
Externí odkaz:
https://doaj.org/article/ea58dc1a1722453585d33b857d6dddcd
Publikováno v:
Molecules, Vol 28, Iss 12, p 4833 (2023)
DNA carries the genetic information required for the synthesis of RNA and proteins and plays an important role in many processes of biological development. Understanding the three-dimensional (3D) structures and dynamics of DNA is crucial for underst
Externí odkaz:
https://doaj.org/article/15aa2926ca444f2aa79e920fe1f3f7e7
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 19, Iss , Pp 2618-2625 (2021)
The recent breakthrough in the field of protein structure prediction shows the relevance of using knowledge-based based scoring functions in combination with a low-resolution 3D representation of protein macromolecules. The choice of not using all at
Externí odkaz:
https://doaj.org/article/5601594ca1714103b2f5612d020162d1
Autor:
L. G. Rizzi
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
This mini-review highlights recent advances on computational approaches that have been used in the characterisation of the viscoelastic response of semiflexible filamentous biomaterials. Special attention is given to the multiscale and coarse-grained
Externí odkaz:
https://doaj.org/article/aeba8e8a614342e3bc4aa4b399f27b3b
Autor:
Lisbeth R. Kjølbye, Gilberto P. Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, Brian Jiménez-García, Juliette Martin, Giulia Rossetti, Marco Cecchini, Sangwook Wu, Luca Monticelli, Paulo C. T. Souza
Publikováno v:
QRB Discovery, Vol 3 (2022)
Coarse-grained (CG) modelling with the Martini force field has come of age. By combining a variety of bead types and sizes with a new mapping approach, the newest version of the model is able to accurately simulate large biomolecular complexes at mil
Externí odkaz:
https://doaj.org/article/7aa32db6405a4bcaa6e367b8f437930f
Publikováno v:
QRB Discovery, Vol 3 (2022)
While RNA folding was originally seen as a simple problem to solve, it has been shown that the promiscuous interactions of the nucleobases result in structural polymorphism, with several competing structures generally observed for non-coding RNA. Thi
Externí odkaz:
https://doaj.org/article/606736fb9ae549ab9909807af52b8189
Autor:
Maciej Maciejczyk
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Externí odkaz:
https://doaj.org/article/2bcc4bb4a3f342fbacac44abdb1d1357
Autor:
Silvia Gabbrielli, Luca Colnaghi, Gemma Mazzuoli-Weber, Alberto Cesare Luigi Redaelli, Alfonso Gautieri
Publikováno v:
Molecules, Vol 28, Iss 1, p 388 (2023)
Plastic pollution has become a global environmental threat, which leads to an increasing concern over the consequences of plastic exposition on global health. Plastic nanoparticles have been shown to influence the folding of proteins and influence th
Externí odkaz:
https://doaj.org/article/d72d47ed79734628b6098978036c6f99