Publications by authors named "C Privat"

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DrugAppy - An end-to-end deep learning framework for computational drug discovery.
Elisa Poyatos-Racionero, Lucía Paniagua-Herranz, Cristian Privat, Carmen Martín-Hernández, Cristina Nieto-Jiménez

Comput Biol Med· November 2025

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Integrating artificial intelligence in drug discovery and early drug development: a transformative approach.
Alberto Ocana, Atanasio Pandiella, Cristian Privat, Iván Bravo, Miguel Luengo-Oroz

Biomark Res· March 2025

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Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation.
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martinez

Phys Chem Chem Phys· August 2022

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Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model.
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martinez

Polymers (Basel)· September 2021

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Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sites.
Cristian Privat, José M Granadino-Roldán, Jordi Bonet, Maria Santos Tomas, Juan J Perez

Phys Chem Chem Phys· February 2021

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