Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Oriol Gracia Carmona"'
Autor:
Ana Barajas, Pep Amengual-Rigo, Anna Pons-Grífols, Raquel Ortiz, Oriol Gracia Carmona, Victor Urrea, Nuria de la Iglesia, Juan Blanco-Heredia, Carla Anjos-Souza, Ismael Varela, Benjamin Trinité, Ferran Tarrés-Freixas, Carla Rovirosa, Rosalba Lepore, Miguel Vázquez, Leticia de Mattos-Arruda, Alfonso Valencia, Bonaventura Clotet, Carmen Aguilar-Gurrieri, Victor Guallar, Jorge Carrillo, Julià Blanco
Publikováno v:
Journal of Translational Medicine, Vol 22, Iss 1, Pp 1-14 (2024)
Abstract Background Neoantigens are patient- and tumor-specific peptides that arise from somatic mutations. They stand as promising targets for personalized therapeutic cancer vaccines. The identification process for neoantigens has evolved with the
Externí odkaz:
https://doaj.org/article/83a923e41a4c4f16982d7a9a094b4b9c
Publikováno v:
Journal of Chemical Theory and Computation.
Publikováno v:
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Universitat Politècnica de Catalunya (UPC)
We present a multistep protocol, combining Monte Carlo and molecular dynamics simulations, for the estimation of absolute binding free energies, one of the most significant challenges in computer-aided drug design. The protocol is based on an initial
Autor:
Christian Tyrchan, Robert Soliva, Martí Municoy, Oriol Gracia Carmona, Martin J. Packer, Daniel Soler, Joan Gilabert, Victor Guallar, Anders Hogner, Samantha Jayne Hughes, Christoph Grebner, Daniel Lecina
Publikováno v:
Journal of Chemical Theory and Computation. 15:6243-6253
In this study, we present a fully automatic platform based on our Monte Carlo algorithm, the Protein Energy Landscape Exploration method (PELE), for the estimation of absolute protein-ligand binding free energies, one of the most significant challeng