Overlay databank unlocks data-driven analyses of biomolecules for all

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

Métodos de Simulación Computacional en Biología

Autor: Amir Dario Maldonado Arce, Claudio Contreras Aburto, Fernando Favela Rosales, Jorge Alfonso Arvayo Zatarain, Efraín Urrutia Bañuelos

Publikováno v: Epistemus, Iss 21, Pp 84-92 (2016)

Las técnicas de simulación computacional se usan extensivamente para estudiar sistemas biológicos, y en general, materiales sólidos y blandos. Debido a la complejidad de los fenómenos biológicos, y a la imposibilidad de estudiar teóricamente e

Externí odkaz: https://doaj.org/article/1452adfdefee49d6a1cc10dc29a0b9f0

Inverse Conformational Selection in Lipid–Protein Binding

Autor: Matti Javanainen, Salla I. Virtanen, Fernando Favela-Rosales, Chris Papadopoulos, Antonio Peón, Amélie Bacle, Anne M. Kiirikki, Patrick F.J. Fuchs, O. H. Samuli Ollila, Pavel Buslaev, Ángel Piñeiro, Rebeca García-Fandiño, Paula Milán Rodríguez, Tiago Mendes Ferreira, Markus S. Miettinen, Jesper J. Madsen, Josef Melcr, Ivan Gushchin, Thomas J. Piggot

Publikováno v: Journal of the American Chemical Society
Journal of the American Chemical Society, 2021, 143 (34), pp.13701-13709. ⟨10.1021/jacs.1c05549⟩
Journal of the American Chemical Society, 143(34), 13701-13709. AMER CHEMICAL SOC
Journal of the American Chemical Society, American Chemical Society, 2021, 143 (34), pp.13701-13709. ⟨10.1021/jacs.1c05549⟩

International audience; Interest in lipid interactions with proteins and other biomolecules is emerging not only in fundamental biochemistry but also in the field of nanobiotechnology where lipids are commonly used, for example, in carriers of mRNA v

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2d9345531ed2d3d157ba5bfda9d2f8b
https://hal.sorbonne-universite.fr/hal-03355166/file/jacs.1c05549.pdf

Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers

Autor: Jesper J. Madsen, Pavel Buslaev, Josef Melcr, Batuhan Kav, Fernando Favela-Rosales, Jukka Määttä, Markus S. Miettinen, O. H. Samuli Ollila, Tiago Mendes Ferreira, Matti Javanainen, Hanne S. Antila, Ricky Nencini, Ivan Gushchin, Thomas J. Piggot

Publikováno v: Journal of Physical Chemistry B, 123(43), 9066-9079. AMER CHEMICAL SOC

Phosphatidylserine (PS) is a negatively charged lipid type commonly found in eukaryotic membranes, where it interacts with proteins via nonspecific electrostatic interactions as well as via specific binding. Moreover, in the presence of calcium ions,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7df121a8ec2484c4ce66e6794af1d1ac
https://doi.org/10.1021/acs.jpcb.9b06091

The effect of sterols on the structure and dynamics of membrane domains and the action of polyenes

Autor: Arturo Galván-Hernández, Ivan Ortega-Blake, Fernando Favela-Rosales

Publikováno v: Biophysical Journal. 121:365a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::67ecb4d786e32de1afba8732f1ebfdc2
https://doi.org/10.1016/j.bpj.2021.11.913