Natalia Díaz

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 8

Top Topics

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Chemical science

Chemical communications (Cambridge, England)

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

Publications

Angel Martin Pendás, Evelio Francisco, Dimas Suárez, Aurora Costales Castro, Natalia Díaz, Julen Munarriz, Tomás Rocha-Rinza, José Manuel Guevara-Vela
Atoms in molecules in real space: a fertile field for chemical bonding. Physical chemistry chemical physics : PCCP (2023)
Natalia Díaz, Dimas Suárez
Toward Reliable and Insightful Entropy Calculations on Flexible Molecules. Journal of chemical theory and computation (2022)
Roberto López, Natalia Díaz, Evelio Francisco, Angel Martin Pendás, Dimas Suárez
QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach. Journal of chemical information and modeling 62 (6) (2022)
Natalia Díaz, Dimas Suárez
Influence of charge configuration on substrate binding to SARS-CoV-2 main protease. Chemical communications (Cambridge, England) 57 (43) (2021)
Natalia Díaz, Dimas Suárez
Understanding the Conformational Properties of Fluorinated Polypeptides: Molecular Modelling of Unguisin A. Journal of chemical information and modeling 61 (1) (2020)
Ana Díaz-Fernández, Rebeca Miranda-Castro, Natalia Díaz, Dimas Suárez, Noemí de-Los-Santos-Álvarez, María Jesús Lobo-Castañón
Aptamers targeting protein-specific glycosylation in tumor biomarkers: general selection, characterization and structural modeling. Chemical science 11 (35) (2020)
Dimas Suárez, Natalia Díaz
SARS-CoV-2 Main Protease: A Molecular Dynamics Study. Journal of chemical information and modeling 60 (12) (2020)
Natalia Díaz, Fernando Jiménez-Grávalos, Dimas Suárez, Evelio Francisco, Angel Martin Pendás
Fluorine conformational effects characterized by energy decomposition analysis. Physical chemistry chemical physics : PCCP 21 (45) (2019)