Sergio Madurga

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 16

Top Topics

Molecular Dynamics

Respiratory Syndrome Coronavirus

Top Venues

Physical chemistry chemical physics : PCCP

Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering

International journal of environmental research and public health

This page only lists publications with an associated author ORCID identifier.

Publications

Pablo M Blanco, Claudio F Narambuena, Sergio Madurga, Francesc Mas, Josep L Garcés
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes. Polymers 15 (12) (2023)
Leila Saranjam, Miroslava A Nedyalkova, Elisabet Fuguet, Vasil D Simeonov, Francesc Mas, Sergio Madurga
Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions. Molecules (Basel, Switzerland) 28 (15) (2023)
Pablo M Blanco, Claudio F Narambuena, Sergio Madurga, Francesc Mas, Josep L Garcés
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes. Polymers 15 (12) (2023)
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martínez
Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Miroslava A Nedyalkova, Mahdi Vasighi, Subrahmanyam Sappati, Anmol Kumar, Sergio Madurga, Vasil D Simeonov
Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach. Pharmaceuticals (Basel, Switzerland) 14 (12) (2021)
Haruna Luz Barazorda-Ccahuana, Miroslava A Nedyalkova, Francesc Mas, Sergio Madurga
Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations. Polymers 13 (21) (2021)
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martínez
Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model. Polymers 13 (19) (2021)
Miroslava A Nedyalkova, Sergio Madurga, Vasil D Simeonov
Combinatorial K-Means Clustering as a Machine Learning Tool Applied to Diabetes Mellitus Type 2. International journal of environmental research and public health 18 (4) (2021)
Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martínez
On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides. Polymers 13 (1) (2020)
Miroslava Nedyalkova, Haruna Luz Barazorda-Ccahuana, C Sârbu, Sergio Madurga, Vasil Simeonov
Fuzzy partitioning of clinical data for DMT2 patients. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 55 (12) (2020)
Haruna Luz Barazorda-Ccahuana, Badhin Gómez, Francesc Mas, Sergio Madurga
Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations. Polymers 12 (11) (2020)
Pablo M Blanco, Sergio Madurga, Josep L Garcés, Francesc Mas, Rita S Dias
Influence of macromolecular crowding on the charge regulation of intrinsically disordered proteins. Soft matter 17 (3) (2020)
Miroslava A Nedyalkova, Sergio Madurga, Marek Tobiszewski, Vasil Simeonov
Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air. Journal of chemical information and modeling 59 (5) (2019)
Pablo M Blanco, Sergio Madurga, Claudio F Narambuena, Francesc Mas, Josep L Garcés
Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes. Polymers 11 (12) (2019)
Pablo M Blanco, Sergio Madurga, Francesc Mas, Josep L Garcés
Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters. Polymers 10 (8) (2018)
Sergio Madurga, Miroslava Nedyalkova, Francesc Mas, Josep Lluís Garcés
Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution. The journal of physical chemistry. A 121 (31) (2017)