Browsing by Author Madurga Díez, Sergio
Showing results 42 to 50 of 50
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| Issue Date | Title | Author(s) |
|---|---|---|
| Jan-2021 | On the use of the discrete constant pH molecular dynamics to describe the conformational space of peptides | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| 1-Jan-2018 | Pre-selection and assessment of green organic solvents by clustering chemometric tools | Tobiszewski, Marek; Nedyalkova, Miroslava; Madurga Díez, Sergio; Pena-Pereira, Francisco; Namieśnik, Jacek; Simeonov, Vasil |
| 30-Oct-2023 | Prediction of partition coefficients for systems of micelles using DFT | Saranjam, Leila |
| 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 |
| 29-Nov-2019 | Role of charge regulation and fluctuations in the conformational and mechanical properties of weak flexible polyelectrolytes | Blanco Andrés, Pablo M.; Madurga Díez, Sergio; Narambuena, Claudio F.; Mas i Pujadas, Francesc; Garcés, Josep Lluís |
| 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 |
| 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 |
| 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 |
| 15-Apr-2020 | Vibrational Analysis of Manganese(II) Oxalates Hydrates: An In Silico Statistical Approach | Barazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Kichev, Ilia; Madurga Díez, Sergio; Donkova, Borjana; Simeonov, Vasil |