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Issue Date | Title | Author(s) |
---|---|---|
16-Jul-2022 | Molecular dynamics simulations of an alfa-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest beta-sheet intermediate states of fibrillation | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
10-Jun-2022 | Adsorption of flexible proteins in the 'wrong side' of the isoelectric point: Casein macropeptide as a model system | Blanco Andrés, Pablo M.; Achetoni, Micaela M.; Garcés, Josep Lluís; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Baieli, María F.; Narambuena, Claudio F. F. |
19-Sep-2021 | Prediction of Partition Coefficients in SDS Micelles by DFT Calculations | Saranjam, Leila; Fuguet i Jordà, Elisabet; Nedyalkova, Miroslava; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio |
5-Nov-2021 | Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations | Barazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Mas i Pujadas, Francesc; Madurga Díez, Sergio |
28-Sep-2021 | Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
22-Aug-2023 | Immunometabolic actions of trabectedin and lurbinectedin on human macrophages: relevance for their anti-tumor activity | Povo-Retana, A.; Fariñas, M.; Landauro-Vera, R.; Mojena, M.; Alvarez-Lucena, C.; Fernández-Moreno, M.A.; Castrillo, C.; delaRosa-Medina, J.V.; Sánchez-García, S.; Foguet, C.; Mas i Pujadas, Francesc; Marin, S.; Cascante, M.; Boscá, L. |
14-Jun-2023 | Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes | Blanco, Pablo M.; Narambuena, Claudio F.; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Garcés, Josep Lluís |
28-Jul-2023 | Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions | Saranjam, Leila; Nedyalkova, Miroslava; Fuguet i Jordà, Elisabet; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio |