Zobrazeno 1 - 10
of 112
pro vyhledávání: '"Luca Monticelli"'
Autor:
Anne M. Kiirikki, Hanne S. Antila, Lara S. Bort, Pavel Buslaev, Fernando Favela-Rosales, Tiago Mendes Ferreira, Patrick F. J. Fuchs, Rebeca Garcia-Fandino, Ivan Gushchin, Batuhan Kav, Norbert Kučerka, Patrik Kula, Milla Kurki, Alexander Kuzmin, Anusha Lalitha, Fabio Lolicato, Jesper J. Madsen, Markus S. Miettinen, Cedric Mingham, Luca Monticelli, Ricky Nencini, Alexey M. Nesterenko, Thomas J. Piggot, Ángel Piñeiro, Nathalie Reuter, Suman Samantray, Fabián Suárez-Lestón, Reza Talandashti, O. H. Samuli Ollila
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-15 (2024)
Abstract Tools based on artificial intelligence (AI) are currently revolutionising many fields, yet their applications are often limited by the lack of suitable training data in programmatically accessible format. Here we propose an effective solutio
Externí odkaz:
https://doaj.org/article/acfa193917a24cbab8ffde269f7d7c0d
Publikováno v:
Frontiers in Molecular Biosciences, Vol 11 (2024)
Externí odkaz:
https://doaj.org/article/996b08e4967844e5b6669f33979f6249
Autor:
Fabian Grünewald, Riccardo Alessandri, Peter C. Kroon, Luca Monticelli, Paulo C. T. Souza, Siewert J. Marrink
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
To facilitate the rational design of (nano)-materials and biomacromolecules by MD simulations, the authors present the polyply suite, featuring a graph matching algorithm and a random walk protocol for generating multi-scale polymeric topologies and
Externí odkaz:
https://doaj.org/article/2f66b81bff3e43829c65a5e4b1612a5b
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
Autor:
Lucie Caillon, Vincent Nieto, Pauline Gehan, Mohyeddine Omrane, Nicolas Rodriguez, Luca Monticelli, Abdou Rachid Thiam
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-12 (2020)
Triacylglycerols (TG) are synthesized at the endoplasmic reticulum (ER) bilayer and packaged into monolayer lipid droplets (LDs), but how proteins partition between ER and LDs is poorly understood. Here authors use synthetic model systems and find th
Externí odkaz:
https://doaj.org/article/5f1c4d552ae7432cbfd5fbb8de490279
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
Molecular docking is central to rational drug design. Current docking techniques suffer, however, from limitations in protein flexibility and solvation models and by the use of simplified scoring functions. All-atom molecular dynamics simulations, on
Externí odkaz:
https://doaj.org/article/5b9155acf11d4349b20f4ee4c8056b76
Publikováno v:
BBA Advances, Vol 1, Iss , Pp 100018- (2021)
Quercetin (3,3ʹ,4ʹ,5,7-pentahydroxyl-flavone) is a natural flavonoid with many valuable biological effects, but its solubility in water is low, posing major limitations in applications. Quercetin encapsulation in liposomes increases its bioavailabi
Externí odkaz:
https://doaj.org/article/4d43ba09ff7b4d7aae5300ede4affe0e
Autor:
Juho Liekkinen, Berta de Santos Moreno, Riku O. Paananen, Ilpo Vattulainen, Luca Monticelli, Jorge Bernardino de la Serna, Matti Javanainen
Publikováno v:
Frontiers in Cell and Developmental Biology, Vol 8 (2020)
Pulmonary surfactant is a complex mixture of lipids and proteins lining the interior of the alveoli, and constitutes the first barrier to both oxygen and pathogens as they progress toward blood circulation. Despite decades of study, the behavior of t
Externí odkaz:
https://doaj.org/article/8209e5ab9d3145aeb1c247cd64701baf
Autor:
Valeria Zoni, Vincent Nieto, Laura J. Endter, Herre J. Risselada, Luca Monticelli, Stefano Vanni
Publikováno v:
Frontiers in Molecular Biosciences, Vol 6 (2019)
Externí odkaz:
https://doaj.org/article/8a05f4d658ea4a8ca614d2f6e360a11c
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 10, p e1003873 (2014)
Cell membranes have a complex lateral organization featuring domains with distinct composition, also known as rafts, which play an essential role in cellular processes such as signal transduction and protein trafficking. In vivo, perturbations of mem
Externí odkaz:
https://doaj.org/article/7c23f38d94fd4ab4bc98a358f11b9072