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Cristian Privat

Showing results (1-10 of 9) with videos related to

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Polymers|October 13, 2021
Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation ModelCristian Privat, Sergio Madurga, Francesc Mas, et al.
Physical Chemistry Chemical Physics : PCCP|August 1, 2022
Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillationCristian Privat, Sergio Madurga, Francesc Mas, et al.
Polymers|January 1, 2021
On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of PeptidesCristian Privat, Sergio Madurga, Francesc Mas, et al.
Biomarker Research|March 15, 2025
Integrating artificial intelligence in drug discovery and early drug development: a transformative approachAlberto Ocana, Atanasio Pandiella, Cristian Privat, et al.
Physical Chemistry Chemical Physics : PCCP|January 25, 2021
Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sitesCristian Privat, José M Granadino-Roldán, Jordi Bonet, et al.
Plos Computational Biology|May 26, 2026
Cooperative molecular interaction networks govern PARP1 inhibitor selectivity and binding affinityAlejandro Feito, Natàlia DeMoya-Valenzuela, Cristian Privat, et al.
European Journal of Medicinal Chemistry|November 2, 2019
Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological propertiesLaura Grau, Manel Romero, Cristian Privat-Contreras, et al.
Computers in Biology and Medicine|October 19, 2025
DrugAppy - An end-to-end deep learning framework for computational drug discoveryElisa Poyatos-Racionero, Lucía Paniagua-Herranz, Cristian Privat, et al.
Journal of Chemical Information and Modeling|April 18, 2026
Comparative Assessment of Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective InhibitionAlejandro Feito, Natàlia DeMoya-Valenzuela, Cristian Privat, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Polymers|October 13, 2021
Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation ModelCristian Privat, Sergio Madurga, Francesc Mas, et al.
Physical Chemistry Chemical Physics : PCCP|August 1, 2022
Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillationCristian Privat, Sergio Madurga, Francesc Mas, et al.
Polymers|January 1, 2021
On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of PeptidesCristian Privat, Sergio Madurga, Francesc Mas, et al.
Biomarker Research|March 15, 2025
Integrating artificial intelligence in drug discovery and early drug development: a transformative approachAlberto Ocana, Atanasio Pandiella, Cristian Privat, et al.
Physical Chemistry Chemical Physics : PCCP|January 25, 2021
Fragment dissolved molecular dynamics: a systematic and efficient method to locate binding sitesCristian Privat, José M Granadino-Roldán, Jordi Bonet, et al.
Plos Computational Biology|May 26, 2026
Cooperative molecular interaction networks govern PARP1 inhibitor selectivity and binding affinityAlejandro Feito, Natàlia DeMoya-Valenzuela, Cristian Privat, et al.
European Journal of Medicinal Chemistry|November 2, 2019
Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological propertiesLaura Grau, Manel Romero, Cristian Privat-Contreras, et al.
Computers in Biology and Medicine|October 19, 2025
DrugAppy - An end-to-end deep learning framework for computational drug discoveryElisa Poyatos-Racionero, Lucía Paniagua-Herranz, Cristian Privat, et al.
Journal of Chemical Information and Modeling|April 18, 2026
Comparative Assessment of Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective InhibitionAlejandro Feito, Natàlia DeMoya-Valenzuela, Cristian Privat, et al.
Pageof 1